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Molecule Identifiers
Molecular Properties

ID: 29632

SMILES:
C(CC[n+]1cc(CC(O)=O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCC

Pathway: Alkaloids;Terpenoids

Superclass: Nicotinic acid alkaloids;Meroterpenoids

Class: Cannabinoids;Pyridine alkaloids

MW: 372.529

InChIKey:
UFOSATBMPDOISG-UHFFFAOYSA-O

ID: 29633

SMILES:
CC(C)(Cl)C(O)Cc1c2c(cc(O)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.927

InChIKey:
KWAUKITYPGCXMA-UHFFFAOYSA-N

ID: 29634

SMILES:
C1(=O)C2=C(C(C)Oc3c2c(O)cc(CCCCC)c3)C(=O)C2C(C)(CCC3(O)C(C)(C)C23)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

InChIKey:
YQJNLCZGIMZUBN-UHFFFAOYSA-N

ID: 29635

SMILES:
C(=C)(C)C1C(c2c(O)cc(CCC(=O)C=CC=CC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

InChIKey:
LYJJBHXJLGNFLE-UHFFFAOYSA-N

ID: 29636

SMILES:
C(C)(C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C(O)CC1(C)C=C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

InChIKey:
HJIIXFRGXRDGBD-UHFFFAOYSA-N

ID: 29637

SMILES:
C12COc3cc(CCCCC)cc(O)c3C1C(O)(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

InChIKey:
CEHONJWAQBAEPN-UHFFFAOYSA-N

ID: 29638

SMILES:
O(C(C)=O)C(C)(C)C1Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

InChIKey:
WLZSSPPPDWZNCW-UHFFFAOYSA-N

ID: 29639

SMILES:
C(C12c3c(O)cc(C)cc3OC3(C)CC3C1C(C(C)=C)CC2)CC(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

InChIKey:
JYWHPANCLZPCRR-UHFFFAOYSA-N

ID: 29640

SMILES:
C(CCCC)c1cc(O)c2c(c1O)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

InChIKey:
VPLJVBJCTGJACJ-UHFFFAOYSA-N

ID: 29641

SMILES:
c1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 29642

SMILES:
O(c1cc(CCCCC)cc2c1C1C=C(C)CC(O)C1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

InChIKey:
DIFQSXGUCOQNAW-UHFFFAOYSA-N

ID: 29643

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C2=C(C(C(C)C)=O)C(=O)C(C)CC2C=C(C)CCC1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)

MW: 562.835

InChIKey:
MDSBQFNCKLFFBO-UHFFFAOYSA-N

ID: 29644

SMILES:
O(C)c1c(O)c2c(cc1CO)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

InChIKey:
RJUOLHJUMAKWRA-UHFFFAOYSA-N

ID: 29645

SMILES:
c1(=O)c(-c2ccc(O)cc2OC2CC(C)=CCC3(O)C2C(O)C3(C)C)c(C)c(OC)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

InChIKey:
GPNCALQEDHDUMT-UHFFFAOYSA-N

ID: 29646

SMILES:
C(CC(C)=CCCC1(C)CC(C(O)(C)C)CC=C1c1c(O)cc(CCCCC)cc1O)C(=O)C1=CCOC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 538.725

InChIKey:
UGKNNXDPPCOENP-UHFFFAOYSA-N

ID: 29647

SMILES:
CC12CC3c4c(O)cc(C(C(C)OC(=O)C)C)cc4OC(C)(C)C3CC1=C(C)CCC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

InChIKey:
RXDAFGHPLVLGLF-UHFFFAOYSA-N

ID: 29648

SMILES:
c1(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.495

InChIKey:
ROXSKQXJGMFFHX-UHFFFAOYSA-N

ID: 29649

SMILES:
C1(=C)C(=O)C2C34COC5(c6c(cc(CCCCC)cc6O)OC35C)C(O)(OC4)C(O)C2(O)CO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.506

InChIKey:
PXIMLGDPCGIOBR-UHFFFAOYSA-N

ID: 29650

SMILES:
c1(OC(C)=O)ccc2c(c1CCCCC)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

InChIKey:
LIVPOYCCFSNTAD-UHFFFAOYSA-N

ID: 29651

SMILES:
C(C)CCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 29652

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(CC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

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