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CHEBI:208715 - Fusarihexin B

ChEBI IDCHEBI:208715
ChEBI NameFusarihexin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H49N5O7
Net Charge0
Average Mass687.838
Monoisotopic Mass687.36320
SMILESCC(C)C[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C38H49N5O7/c1-24(2)21-32-37(48)42-19-11-17-29(42)33(44)40-28(22-26-13-7-5-8-14-26)35(46)43-20-12-18-30(43)36(47)41(4)31(23-27-15-9-6-10-16-27)34(45)39-25(3)38(49)50-32/h5-10,13-16,24-25,28-32H,11-12,17-23H2,1-4H3,(H,39,45)(H,40,44)/t25-,28-,29-,30-,31-,32-/m0/s1
InChIKeyJUHAMXWDBZKYKG-YBEDAUBBSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (29954027)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fusarihexin B (CHEBI:208715) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,12S,15S,18S,21S)-3,18-dibenzyl-15,19-dimethyl-12-(2-methylpropyl)-13-oxa-1,4,10,16,19-pentazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
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