Stachybotrysin C (CHEBI:207808)

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CHEBI:207808 - Stachybotrysin C

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ChEBI ID	CHEBI:207808
ChEBI Name	Stachybotrysin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H34O7
Net Charge	0
Average Mass	446.540
Monoisotopic Mass	446.23045
SMILES	CC(=O)O[C@@H]1[C@H](O)C[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc(CO)c(C=O)c2O3)C1(C)C
InChI	InChI=1S/C25H34O7/c1-13-6-7-20-23(3,4)22(31-14(2)28)19(30)10-24(20,5)25(13)9-16-18(29)8-15(11-26)17(12-27)21(16)32-25/h8,12-13,19-20,22,26,29-30H,6-7,9-11H2,1-5H3/t13-,19-,20+,22-,24+,25-/m1/s1
InChIKey	ZTVXBYHCHQJAQR-JHAFVJHKSA-N

Species of Metabolite	Component	Source	Comments
Stachybotrys (ncbitaxon:74721)	-	PubMed (28530828)

ChEBI Ontology

Outgoing Relation(s)
	Stachybotrysin C (CHEBI:207808) is a benzofurans (CHEBI:35259)

IUPAC Name
[(2S,3R,4aS,5R,6R,8aS)-7'-ormyl-3,4'-dihydroxy-6'-(hydroxymethyl)-1,1,4a,6-tetramethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-3H-1-benzouran]-2-yl] acetate

Manual Xrefs	Databases
78438976	ChemSpider