Tanzawaic acid I (CHEBI:222996)

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CHEBI:222996 - Tanzawaic acid I

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ChEBI ID	CHEBI:222996
ChEBI Name	Tanzawaic acid I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O4
Net Charge	0
Average Mass	306.402
Monoisotopic Mass	306.18311
SMILES	CC1=C[C@@H](O)[C@H]2C[C@@H](C)C[C@@H](C)[C@@H]2[C@@]1(O)/C=C/C=C/C(=O)O
InChI	InChI=1S/C18H26O4/c1-11-8-12(2)17-14(9-11)15(19)10-13(3)18(17,22)7-5-4-6-16(20)21/h4-7,10-12,14-15,17,19,22H,8-9H2,1-3H3,(H,20,21)/b6-4+,7-5+/t11-,12+,14+,15+,17-,18+/m0/s1
InChIKey	UIZBWUKMTZMEGS-NJOIRKGMSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (24605144)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid I (CHEBI:222996) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E)-5-[(1S,4S,4aS,6S,8R,8aS)-1,4-dihydroxy-2,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]penta-2,4-dienoic acid