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CHEBI:217516 - Disorazole-B4

ChEBI IDCHEBI:217516
ChEBI NameDisorazole-B4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H52N2O11
Net Charge0
Average Mass760.881
Monoisotopic Mass760.35711
SMILESC/C=C/C(O)C(C)(C)C1C/C=C\C(O)C(O)/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/C42H52N2O11/c1-7-15-33(47)41(3,4)35-21-13-18-30(46)29(45)17-9-11-23-37-43-28(25-51-37)40(50)55-36(42(5,6)34(48)16-8-2)22-14-20-32-31(53-32)19-10-12-24-38-44-27(26-52-38)39(49)54-35/h7-20,23-26,29-36,45-48H,21-22H2,1-6H3/b15-7+,16-8+,17-9-,18-13-,19-10-,20-14-,23-11-,24-12-
InChIKeyQRTNEGQCYUZHSI-RIRITPKUSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/jlac.199419940802)
ChEBI Ontology
Outgoing Relation(s)
Disorazole-B4 (CHEBI:217516) is a oxazole (CHEBI:35790)
IUPAC Name 
(2Z,4Z,9Z,19Z,21Z,25Z)-23,24-dihydroxy-12,28-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),19,21,25,31-decaene-14,30-dione
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