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CHEBI:216088 - Stachybotrin F

ChEBI IDCHEBI:216088
ChEBI NameStachybotrin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO8
Net Charge0
Average Mass529.630
Monoisotopic Mass529.26757
SMILESCOC(=O)[C@H](CCC(=O)O)N1Cc2c(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/C29H39NO8/c1-15-6-8-21-27(2,3)22(32)10-11-28(21,4)29(15)13-17-20(31)12-16-18(24(17)38-29)14-30(25(16)35)19(26(36)37-5)7-9-23(33)34/h12,15,19,21-22,31-32H,6-11,13-14H2,1-5H3,(H,33,34)/t15-,19+,21+,22-,28+,29-/m1/s1
InChIKeyDIPPEYCDTCRFOI-PFKPZCCCSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24308675)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrin F (CHEBI:216088) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(4S)-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]-5-methoxy-5-oxopentanoic acid
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