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CHEBI:197747 - SMTP-7

ChEBI IDCHEBI:197747
ChEBI NameSMTP-7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H68N2O10
Net Charge0
Average Mass869.109
Monoisotopic Mass868.48740
SMILESCC(C)=CCCC(C)=CCCC1(C)Oc2c(c(O)cc3c2CN(CCCC(C(=O)O)N2Cc4c(cc(O)c5c4OC(C)(CCC=C(C)CCC=C(C)C)C(O)C5)C2=O)C3=O)CC1O
InChIInChI=1S/C51H68N2O10/c1-30(2)14-9-16-32(5)18-11-21-50(7)43(56)26-36-41(54)24-34-38(45(36)62-50)28-52(47(34)58)23-13-20-40(49(60)61)53-29-39-35(48(53)59)25-42(55)37-27-44(57)51(8,63-46(37)39)22-12-19-33(6)17-10-15-31(3)4/h14-15,18-19,24-25,40,43-44,54-57H,9-13,16-17,20-23,26-29H2,1-8H3,(H,60,61)
InChIKeyCRNDCHORWGDFGR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (10819294)
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-7 (CHEBI:197747) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
2,5-bis[2-(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
Manual XrefsDatabases
HMDB0258348HMDB
78443858ChemSpider