FR225654 (CHEBI:205670)

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CHEBI:205670 - FR225654

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ChEBI ID	CHEBI:205670
ChEBI Name	FR225654
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H40O9
Net Charge	0
Average Mass	508.608
Monoisotopic Mass	508.26723
SMILES	CC[C@@H](COC(=O)C/C(C)=C/C(=O)O)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@](C)(O)C[C@@H](C)C2[C@@]1(C)C(=O)/C=C\O
InChI	InChI=1S/C27H40O9/c1-7-17(14-36-21(32)11-15(2)10-20(30)31)23-26(5,19(29)8-9-28)22-16(3)12-25(4,34)13-18(22)24(33)27(23,6)35/h8-10,16-18,22-23,28,34-35H,7,11-14H2,1-6H3,(H,30,31)/b9-8-,15-10+/t16-,17+,18+,22?,23-,25-,26-,27+/m1/s1
InChIKey	KKDOHEVLSPAAHT-BPNOPAPNSA-N

Species of Metabolite	Component	Source	Comments
Phoma (ncbitaxon:37463)	-	PubMed (16161482)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	FR225654 (CHEBI:205670) is a hydroxy fatty acid (CHEBI:24654)

IUPAC Name
(E)-5-[(2R)-2-[(1R,2R,3S,4aS,6R,8R)-3,6-dihydroxy-1-[(Z)-3-hydroxyprop-2-enoyl]-1,3,6,8-tetramethyl-4-oxo-2,4a,5,7,8,8a-hexahydronaphthalen-2-yl]butoxy]-3-methyl-5-oxopent-2-enoic acid

Manual Xrefs	Databases
78437846	ChemSpider