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CHEBI:209522 - Verticilide B1

ChEBI IDCHEBI:209522
ChEBI NameVerticilide B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57N3O9
Net Charge0
Average Mass639.831
Monoisotopic Mass639.40948
SMILESCCCCCC1OC(=O)[C@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C33H57N3O9/c1-10-13-16-19-25-28(37)34(7)23(5)32(41)44-27(21-18-15-12-3)30(39)36(9)24(6)33(42)45-26(20-17-14-11-2)29(38)35(8)22(4)31(40)43-25/h22-27H,10-21H2,1-9H3/t22-,23-,24-,25?,26?,27?/m0/s1
InChIKeyIAASOIULJHHJRF-OGLSAIDSSA-N
Species of MetaboliteComponentSourceComments
Hypocrealesspecies FKI-2679 (ncbitaxon:706523) - PubMed (22415459)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Verticilide B1 (CHEBI:209522) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,9S,15S)-3,4,9,10,15,16-hexamethyl-6,12,18-tripentyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone