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CHEBI:212960 - W493 C

ChEBI IDCHEBI:212960
ChEBI NameW493 C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H69N7O11
Net Charge0
Average Mass860.063
Monoisotopic Mass859.50551
SMILESCCCCCCCC[C@@H](C)[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)CC)C(=O)O1
InChIInChI=1S/C43H69N7O11/c1-8-10-11-12-13-14-15-25(4)33-23-35(54)49-37(28(7)51)42(59)46-26(5)38(55)45-27(6)39(56)47-31(20-21-34(44)53)40(57)48-32(22-29-16-18-30(52)19-17-29)41(58)50-36(24(3)9-2)43(60)61-33/h16-19,24-28,31-33,36-37,51-52H,8-15,20-23H2,1-7H3,(H2,44,53)(H,45,55)(H,46,59)(H,47,56)(H,48,57)(H,49,54)(H,50,58)/t24?,25-,26+,27-,28-,31+,32-,33+,36+,37-/m1/s1
InChIKeyZORNNKGAQUDOAY-YUSMWIAGSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1177/1934578x1501001011)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
W493 C (CHEBI:212960) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3S,6R,9S,12R,15S,18R,22S)-3-butan-2-yl-22-[(2R)-decan-2-yl]-18-[(1R)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)methyl]-12,15-dimethyl-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-9-yl]propanamide
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58196745ChemSpider