5-[(E)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid (CHEBI:182047)

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ChEBI Name	5-[(E)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

ChEBI ID	CHEBI:182047

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H32O4

Net Charge

Average Mass

336.472

Monoisotopic Mass

336.23006

InChI

InChI=1S/C20H32O4/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(23)24)16(14)7-6-15(13-22)9-12-21/h9,16-17,21-22H,1,4-8,10-13H2,2-3H3,(H,23,24)/b15-9+

InChIKey

UTBCORIJXVSSBE-OQLLNIDSSA-N

SMILES

OC(=O)C1(C2C(C(C(CC2)=C)CC/C(/CO)=C\CO)(CCC1)C)C

ChEBI Ontology
Outgoing	5-[(E)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid (CHEBI:182047) is a diterpenoid (CHEBI:23849)

IUPAC Name

5-[(E)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid