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CHEBI:223520 - Disorazole-B1

ChEBI IDCHEBI:223520
ChEBI NameDisorazole-B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H50N2O10
Net Charge0
Average Mass742.866
Monoisotopic Mass742.34655
SMILESC/C=C/C(O)C(C)(C)C1C/C=C\C2OC2/C=C\C=C/c2nc(co2)C(=O)OC(C(C)(C)C(O)/C=C/C)C/C=C\C2OC2/C=C\C=C/c2nc(co2)C(=O)O1
InChIInChI=1S/C42H50N2O10/c1-7-15-33(45)41(3,4)35-21-13-19-31-29(51-31)17-9-12-24-38-44-28(26-50-38)40(48)54-36(42(5,6)34(46)16-8-2)22-14-20-32-30(52-32)18-10-11-23-37-43-27(25-49-37)39(47)53-35/h7-20,23-26,29-36,45-46H,21-22H2,1-6H3/b15-7+,16-8+,17-9-,18-10-,19-13-,20-14-,23-11-,24-12-
InChIKeyFOQGKCOTKQAXPE-XIIYVMKPSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/jlac.199419940802)
ChEBI Ontology
Outgoing Relation(s)
Disorazole-B1 (CHEBI:223520) is a oxazole (CHEBI:35790)
IUPAC Name 
(2Z,4Z,9Z,19Z,21Z,26Z)-12,29-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),2,4,9,15,18(36),19,21,26,32-decaene-14,31-dione
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