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CHEBI:199995 - Stachybisbin B

ChEBI IDCHEBI:199995
ChEBI NameStachybisbin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESCC(=O)OCc1c(CO)cc2c3c(coc13)[C@@H](CC[C@H](C)O)[C@](C)(CCC=C(C)C)O2
InChIInChI=1S/C25H34O6/c1-15(2)7-6-10-25(5)21(9-8-16(3)27)20-14-30-24-19(13-29-17(4)28)18(12-26)11-22(31-25)23(20)24/h7,11,14,16,21,26-27H,6,8-10,12-13H2,1-5H3/t16-,21+,25-/m0/s1
InChIKeyDILDNDKGFFYJIV-LMNXFLSBSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys bisbyi (ncbitaxon:80385) - PubMed (26149533)
ChEBI Ontology
Outgoing Relation(s)
Stachybisbin B (CHEBI:199995) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
[(5R,6S)-5-[(3S)-3-hydroxybutyl]-10-(hydroxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-11-yl]methyl acetate
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78443374ChemSpider