(Q100145859)

English

(E)-2-Methyl-6-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid

chemical compound

In more languages

Statements

group of stereoisomers

0 references

cycloartane triterpenoid

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454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC4C(C(=O)CCC54CC35CCC12C)(C)C)C

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isomeric SMILES

C/C(=C\CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(=O)CCC45CC35CCC12C)C(=O)O

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Tillandsia usneoides

1 reference

Cycloartane Derivatives fromTillandsia usneoides

Identifiers

InChI=1S/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+

0 references

MZPNVEOVZSHYMZ-AWQFTUOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MZPNVEOVZSHYMZ-AWQFTUOYSA-N

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