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CHEBI:208677 - Stachybotrin D

ChEBI IDCHEBI:208677
ChEBI NameStachybotrin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35NO5
Net Charge0
Average Mass441.568
Monoisotopic Mass441.25152
SMILESCC(=O)CN1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C1=O
InChIInChI=1S/C26H35NO5/c1-14-6-7-20-24(3,4)21(30)8-9-25(20,5)26(14)11-17-19(29)10-16-18(22(17)32-26)13-27(23(16)31)12-15(2)28/h10,14,20-21,29-30H,6-9,11-13H2,1-5H3/t14-,20+,21-,25+,26-/m1/s1
InChIKeyUDHWNQLFPSBGMZ-CNXQJNQVSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24308675)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrin D (CHEBI:208677) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-7'-(2-oxopropyl)spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-6'-one
Manual XrefsDatabases
30771437ChemSpider