(Q104969298)

English

(2Z,6E,10S,11Z)-12-(2,5-dihydroxy-4-methylphenyl)-10-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,11-trienoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

0 references

mass

442.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,6E,10S,11Z)-12-(2,5-dihydroxy-4-methylphenyl)-10-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,11-trienoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(10S)-12-(2,5-dihydroxy-4-methylphenyl)-10-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,11-trienoic acid

1 reference

based on heuristic

inferred from InChI

(2Z,6E,10R,11Z)-12-(2,5-dihydroxy-4-methylphenyl)-10-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,11-trienoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₅

0 references

canonical SMILES

O=C(O)C(=CCCC(=CCCC(O)(C=CC1=CC(O)=C(C=C1O)C)C)C)CCC=C(C)C

0 references

isomeric SMILES

CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O)C(=O)O

0 references

found in taxon

Litophyton chabrolii

1 reference

stated in

Novel meroditerpenoid-related metabolites from the formosan soft coral Nephthea chabrolii

Identifiers

InChI

InChI=1S/C27H38O5/c1-19(2)9-6-12-22(26(30)31)13-7-10-20(3)11-8-15-27(5,32)16-14-23-18-24(28)21(4)17-25(23)29/h9,11,13-14,16-18,28-29,32H,6-8,10,12,15H2,1-5H3,(H,30,31)/b16-14-,20-11+,22-13-/t27-/m0/s1

0 references

InChIKey

CSICLPIRUBSEIB-YXZPTPOVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSICLPIRUBSEIB-YXZPTPOVSA-N

(Q104969298)

(2Z,6E,10S,11Z)-12-(2,5-dihydroxy-4-methylphenyl)-10-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,11-trienoic acid

Statements

Identifiers

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