Trichodermic acid B (CHEBI:202581)

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CHEBI:202581 - Trichodermic acid B

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ChEBI ID	CHEBI:202581
ChEBI Name	Trichodermic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H28O4
Net Charge	0
Average Mass	320.429
Monoisotopic Mass	320.19876
SMILES	CC1=C[C@@H](O)[C@H]2C[C@@H](C)[C@H](O)[C@@H](C)[C@@H]2[C@H]1/C=C/C=C(\C)C(=O)O
InChI	InChI=1S/C19H28O4/c1-10(19(22)23)6-5-7-14-11(2)9-16(20)15-8-12(3)18(21)13(4)17(14)15/h5-7,9,12-18,20-21H,8H2,1-4H3,(H,22,23)/b7-5+,10-6+/t12-,13+,14+,15-,16-,17-,18+/m1/s1
InChIKey	JHSQFDKHGZYBKL-PQJKADKUSA-N

Species of Metabolite	Component	Source	Comments
Trichodermaspeciesrale (ncbitaxon:63588)	-	DOI (10.1002/hlca.201100417)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Trichodermic acid B (CHEBI:202581) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
78440895	ChemSpider