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CHEBI:207399 - Stachybonoid B

ChEBI IDCHEBI:207399
ChEBI NameStachybonoid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESCC(=O)OCc1cc(O)c2c(c1C=O)O[C@@](C)(CC/C=C(/C)CC[C@@H](O)C(C)(C)O)C=C2
InChIInChI=1S/C25H34O7/c1-16(8-9-22(29)24(3,4)30)7-6-11-25(5)12-10-19-21(28)13-18(15-31-17(2)27)20(14-26)23(19)32-25/h7,10,12-14,22,28-30H,6,8-9,11,15H2,1-5H3/b16-7-/t22-,25+/m1/s1
InChIKeyOHUGKIOTCJZLCB-MQUQZMCASA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1039/c7ra09859f)
ChEBI Ontology
Outgoing Relation(s)
Stachybonoid B (CHEBI:207399) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
[(2S)-2-[(Z,7R)-7,8-dihydroxy-4,8-dimethylnon-3-enyl]-8-ormyl-5-hydroxy-2-methylchromen-7-yl]methyl acetate
Manual XrefsDatabases
62453203ChemSpider