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CHEBI:217086 - Flavipeside B

ChEBI IDCHEBI:217086
ChEBI NameFlavipeside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H43ClN5O8
Net Charge+1
Average Mass781.286
Monoisotopic Mass780.27947
SMILESCOC(=O)c1c(-n2ccc(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)[N+](C)(C)C)n2)c(O)cc2oc3cc(C)c(Cl)c(O)c3c(=O)c12
InChIInChI=1S/C42H42ClN5O8/c1-24-20-31-34(39(51)36(24)43)38(50)33-32(56-31)23-30(49)37(35(33)42(54)55-5)47-19-17-27(46-47)16-18-44-40(52)28(21-25-12-8-6-9-13-25)45-41(53)29(48(2,3)4)22-26-14-10-7-11-15-26/h6-15,17,19-20,23,28-29H,16,18,21-22H2,1-5H3,(H3-,44,45,49,50,51,52,53)/p+1/t28-,29-/m0/s1
InChIKeyMPHIGQSBTKUCRT-VMPREFPWSA-O
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32057246)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Flavipeside B (CHEBI:217086) is a dipeptide (CHEBI:46761)
IUPAC Name 
[(2S)-1-[[(2S)-1-[2-[1-(7-chloro-3,8-dihydroxy-1-methoxycarbonyl-6-methyl-9-oxoxanthen-2-yl)pyrazol-3-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-trimethylazanium