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CHEBI:224030 - Staplabin

ChEBI IDCHEBI:224030
ChEBI NameStaplabin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESCC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(CCCCC(=O)O)C3=O)CC1O
InChIInChI=1S/C28H39NO6/c1-18(2)9-7-10-19(3)11-8-13-28(4)24(31)16-21-23(30)15-20-22(26(21)35-28)17-29(27(20)34)14-6-5-12-25(32)33/h9,11,15,24,30-31H,5-8,10,12-14,16-17H2,1-4H3,(H,32,33)/b19-11+
InChIKeyPREWWCBUIKRUIM-YBFXNURJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (8968387)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Staplabin (CHEBI:224030) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
5-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid
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8132644ChemSpider