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CHEBI:190791 - Spirolide C

ChEBI IDCHEBI:190791
ChEBI NameSpirolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H63NO7
Net Charge0
Average Mass705.977
Monoisotopic Mass705.46045
SMILESC=C1CCCC2=NCC(C)C(C)CC23CCC(C2C=C(C)C(=O)O2)=C(C)C3/C=C(/C)C(O)CC2OC3(CCC4(OC(CCC4(C)O)C1)O3)CC2C
InChIInChI=1S/C43H63NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19-20,28-30,32,34-37,45,47H,1,9-18,21-24H2,2-8H3/b26-19-
InChIKeyBDNZANPABAQRBQ-XHPQRKPJSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Spirolide C (CHEBI:190791) is a azepine (CHEBI:48105)
IUPAC Name 
2-[(10Z)-9,32-dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-4-methyl-2H-uran-5-one