Decatamariic acid (CHEBI:225947)

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CHEBI:225947 - Decatamariic acid

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ChEBI ID	CHEBI:225947
ChEBI Name	Decatamariic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H32O3
Net Charge	0
Average Mass	320.473
Monoisotopic Mass	320.23514
SMILES	CC(=CCO)CC1=C(CC(=O)O)[C@]2(C)CCCC(C)(C)[C@H]2CC1
InChI	InChI=1S/C20H32O3/c1-14(8-11-21)12-15-6-7-17-19(2,3)9-5-10-20(17,4)16(15)13-18(22)23/h8,17,21H,5-7,9-13H2,1-4H3,(H,22,23)/t17-,20+/m1/s1
InChIKey	AUMLCVNLZJLOHA-XLIONFOSSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (28096549)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Decatamariic acid (CHEBI:225947) is a carboxylic acid (CHEBI:33575)

IUPAC Name
2-[(4aR,8aR)-2-(4-hydroxy-2-methylbut-2-enyl)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]acetic acid