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CHEBI:211221 - Stachybotrin H

ChEBI IDCHEBI:211221
ChEBI NameStachybotrin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO6
Net Charge0
Average Mass443.540
Monoisotopic Mass443.23079
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CC(=O)O)C3=O
InChIInChI=1S/C25H33NO6/c1-13-5-6-18-23(2,3)19(28)7-8-24(18,4)25(13)10-15-17(27)9-14-16(21(15)32-25)11-26(22(14)31)12-20(29)30/h9,13,18-19,27-28H,5-8,10-12H2,1-4H3,(H,29,30)/t13-,18+,19-,24+,25-/m1/s1
InChIKeyGKCMJUSAAAXAAP-QOXRBUJVSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (29569484)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrin H (CHEBI:211221) is a isoindoles (CHEBI:24897)
IUPAC Name 
2-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]acetic acid
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73930322ChemSpider