[4,8-Dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate (CHEBI:182305)

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CHEBI:182305 - [4,8-Dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate

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ChEBI ID	CHEBI:182305
ChEBI Name	[4,8-Dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H28O9
Net Charge	0
Average Mass	412.435
Monoisotopic Mass	412.17333
SMILES	C=C(C(=O)OC1CC2(C)C(O)CCC(=O)C2C(O)C1C(=C)C(=O)OC)C(O)CO
InChI	InChI=1S/C20H28O9/c1-9(12(23)8-21)19(27)29-13-7-20(3)14(24)6-5-11(22)16(20)17(25)15(13)10(2)18(26)28-4/h12-17,21,23-25H,1-2,5-8H2,3-4H3
InChIKey	NOGWCMMYTAXOCY-UHFFFAOYSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	[4,8-Dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate (CHEBI:182305) is a 3-hydroxy carboxylic acid (CHEBI:61355)

IUPAC Name
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate

Manual Xrefs	Databases
22943393	ChemSpider