(Q82599944)

English

(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-4-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

menthane monoterpenoids

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mass

358.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₄

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canonical SMILES

O=C(O)C1=C2OC(C)(C)C3CCC(=CC3C2=C(O)C=C1CCCCC)C

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isomeric SMILES

CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1C(=O)O)(C)C)C)O

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found in taxon

Cannabis sativa

2 references

stated in

Secondary metabolism in cannabis

stated in

PKS activities and biosynthesis of cannabinoids and flavonoids in Cannabis sativa L. plants

Identifiers

InChI

InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17(23)19-15-11-13(2)9-10-16(15)22(3,4)26-20(19)18(14)21(24)25/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1

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InChIKey

VITZNDKHSIWPSR-HZPDHXFCSA-N

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0 references

1 reference

matched by identifier from

InChIKey

VITZNDKHSIWPSR-HZPDHXFCSA-N

SureChEMBL ID

SCHEMBL13214126

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VITZNDKHSIWPSR-HZPDHXFCSA-N

1 reference

1 reference

matched by identifier from

InChIKey

VITZNDKHSIWPSR-HZPDHXFCSA-N

DSSTOX compound identifier

DTXCID40627770

0 references

UNII

Q2682Q3DXB

1 reference

matched by identifier from

InChIKey

VITZNDKHSIWPSR-HZPDHXFCSA-N

(Q82599944)

(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-4-carboxylic acid

Statements

Identifiers

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