Paecilomycin C (CHEBI:219980)

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CHEBI:219980 - Paecilomycin C

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ChEBI ID	CHEBI:219980
ChEBI Name	Paecilomycin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H26O9
Net Charge	0
Average Mass	398.408
Monoisotopic Mass	398.15768
SMILES	COc1cc(O)c2c(c1)[C@@H]([C@H](O)C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)O)OC2=O
InChI	InChI=1S/C19H26O9/c1-9(20)4-3-5-12(21)17(25)14(23)8-15(24)18-11-6-10(27-2)7-13(22)16(11)19(26)28-18/h3,5-7,9,12,14-15,17-18,20-25H,4,8H2,1-2H3/b5-3+/t9-,12-,14-,15+,17+,18-/m0/s1
InChIKey	HINFKBVOBBHDCP-OSMRJIJKSA-N

Species of Metabolite	Component	Source	Comments
Clavicipitaceaespecies SC0924 (ncbitaxon:1710628)	-	PubMed (20429578)

ChEBI Ontology

Outgoing Relation(s)
	Paecilomycin C (CHEBI:219980) is a benzofurans (CHEBI:35259)

IUPAC Name
(3S)-7-hydroxy-5-methoxy-3-[(E,1R,3S,4S,5S,9S)-1,3,4,5,9-pentahydroxydec-6-enyl]-3H-2-benzouran-1-one

Manual Xrefs	Databases
24669125	ChemSpider