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CHEBI:224749 - Stachyin A

ChEBI IDCHEBI:224749
ChEBI NameStachyin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO6
Net Charge0
Average Mass443.540
Monoisotopic Mass443.23079
SMILESCC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(O)cc4c(c2O3)CNC4=O)C(C)(C)[C@H]1O
InChIInChI=1S/C25H33NO6/c1-12-6-7-19-23(3,4)21(29)18(31-13(2)27)10-24(19,5)25(12)9-15-17(28)8-14-16(20(15)32-25)11-26-22(14)30/h8,12,18-19,21,28-29H,6-7,9-11H2,1-5H3,(H,26,30)/t12-,18-,19+,21-,24+,25-/m0/s1
InChIKeyMLWSQMMSROWDTI-KGWQWQGISA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24694571)
ChEBI Ontology
Outgoing Relation(s)
Stachyin A (CHEBI:224749) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(2S,3R,4aR,7S,8S,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-uro[2,3-e]isoindole]-2-yl] acetate
Manual XrefsDatabases
32674983ChemSpider