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CHEBI:225783 - Stachybotrin C

ChEBI IDCHEBI:225783
ChEBI NameStachybotrin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H39NO5
Net Charge0
Average Mass505.655
Monoisotopic Mass505.28282
SMILESCC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN(CCc2ccc(O)cc2)C3=O)C[C@H]1O
InChIInChI=1S/C31H39NO5/c1-20(2)7-5-8-21(3)9-6-15-31(4)28(35)18-25-27(34)17-24-26(29(25)37-31)19-32(30(24)36)16-14-22-10-12-23(33)13-11-22/h7,9-13,17,28,33-35H,5-6,8,14-16,18-19H2,1-4H3/b21-9+/t28-,31-/m1/s1
InChIKeyVXPNPWUFHMIFJE-LCVDRPHOSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (9315074)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrin C (CHEBI:225783) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-8-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one
Manual XrefsDatabases
8544330ChemSpider