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CHEBI:198519 - SMTP-6

ChEBI IDCHEBI:198519
ChEBI NameSMTP-6
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SubmitterMetaboLights
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FormulaC34H40N2O6
Net Charge0
Average Mass572.702
Monoisotopic Mass572.28864
SMILESCC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(C(Cc2cnc4ccccc24)C(=O)O)C3=O)CC1O
InChIInChI=1S/C34H40N2O6/c1-20(2)9-7-10-21(3)11-8-14-34(4)30(38)17-25-29(37)16-24-26(31(25)42-34)19-36(32(24)39)28(33(40)41)15-22-18-35-27-13-6-5-12-23(22)27/h5-6,9,11-13,16,18,28,30,35,37-38H,7-8,10,14-15,17,19H2,1-4H3,(H,40,41)/b21-11+
InChIKeyCJZYCBIYGYFBTP-SRZZPIQSSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (10048563)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
SMTP-6 (CHEBI:198519) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
2-[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]-3-(1H-indol-3-yl)propanoic acid
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8873668ChemSpider