A83094A (CHEBI:199303)

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CHEBI:199303 - A83094A

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ChEBI ID	CHEBI:199303
ChEBI Name	A83094A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H39NO4
Net Charge	0
Average Mass	465.634
Monoisotopic Mass	465.28791
SMILES	CCC(=CC=C[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1cccn1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C
InChI	InChI=1S/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/t18-,19+,21-,22+,23+,25+,26+,28+/m0/s1
InChIKey	HSZFOQSMGNAIJM-OCTUDMHKSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces griseus (ncbitaxon:1911)	-	PubMed (3182398)

ChEBI Ontology

Outgoing Relation(s)
	A83094A (CHEBI:199303) is a aromatic ketone (CHEBI:76224)

IUPAC Name
(2R)-2-[(2R,5S,6R)-6-[6-[(3aR,4S,5S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid