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CHEBI:207423 - Stachybonoid F

ChEBI IDCHEBI:207423
ChEBI NameStachybonoid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESCOC(=O)CCCN1Cc2c(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/C28H39NO6/c1-16-8-9-21-26(2,3)22(31)10-11-27(21,4)28(16)14-18-20(30)13-17-19(24(18)35-28)15-29(25(17)33)12-6-7-23(32)34-5/h13,16,21-22,30-31H,6-12,14-15H2,1-5H3/t16-,21+,22-,27+,28-/m1/s1
InChIKeyDPLMOSJQNNREIB-SELUXCBJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1039/c7ra09859f)
ChEBI Ontology
Outgoing Relation(s)
Stachybonoid F (CHEBI:207423) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl 4-[(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]butanoate
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