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CHEBI:200988 - Isaridin B

ChEBI IDCHEBI:200988
ChEBI NameIsaridin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H55N5O7
Net Charge0
Average Mass717.908
Monoisotopic Mass717.41015
SMILESCC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2[C@@H](C)CCN2C1=O
InChIInChI=1S/C40H55N5O7/c1-25(2)22-32-39(50)45-21-19-27(5)35(45)37(48)42-30(23-28-14-10-8-11-15-28)38(49)44(7)34(26(3)4)40(51)43(6)31(24-29-16-12-9-13-17-29)36(47)41-20-18-33(46)52-32/h8-17,25-27,30-32,34-35H,18-24H2,1-7H3,(H,41,47)(H,42,48)/t27-,30-,31-,32-,34-,35-/m0/s1
InChIKeyCYKMKVMZXCFAKS-GPUGIWAMSA-N
Species of MetaboliteComponentSourceComments
Isariaspecies (ncbitaxon:1906752) - PubMed (17191864)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Isaridin B (CHEBI:200988) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,10S,13S,16S,19S,20S)-10,16-dibenzyl-11,14,20-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
34219442ChemSpider