(Q105009559)

English

(2R,6R)-6-[(3S,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-hydroxy-2-methyl-3-methylidene-4-oxoheptanoic acid

chemical compound

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type of chemical entity

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1 reference

6-[6-(2-Carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-hydroxy-2-methyl-3-methylidene-4-oxoheptanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

512.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₄O₆

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canonical SMILES

O=C(O)CCC1(C2=CCC3(C)C(CCC3(C2=CCC1C(=C)C)C)C(O)(C)CC(=O)C(=C)C(C(=O)O)C)C

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isomeric SMILES

C=C(C(=O)C[C@@](C)(O)[C@H]1CC[C@@]2(C)C3=CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)[C@@H](C)C(=O)O

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found in taxon

Fuscopostia leucomallella

1 reference

stated in

Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus

Identifiers

InChI

InChI=1S/C31H44O6/c1-18(2)21-9-10-23-22(28(21,5)14-13-26(33)34)11-15-30(7)25(12-16-29(23,30)6)31(8,37)17-24(32)19(3)20(4)27(35)36/h10-11,20-21,25,37H,1,3,9,12-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20-,21-,25+,28+,29+,30-,31-/m1/s1

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InChIKey

GJTWWQXLOACZKG-PMNNKBTBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GJTWWQXLOACZKG-PMNNKBTBSA-N

(Q105009559)

(2R,6R)-6-[(3S,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-hydroxy-2-methyl-3-methylidene-4-oxoheptanoic acid

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