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CHEBI:218972 - Cytochalasin B3

ChEBI IDCHEBI:218972
ChEBI NameCytochalasin B3
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SubmitterMetaboLights
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FormulaC29H35NO5
Net Charge0
Average Mass477.601
Monoisotopic Mass477.25152
SMILESCC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/C(=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18,23-24,26-27,33H,7,9-10,13,17H2,1-3H3,(H,30,34)/b14-8+,16-15+/t18-,23+,24+,26+,27-,29-/m1/s1
InChIKeyARZLNCVUULQBQG-HBEZZINHSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (25881821)
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin B3 (CHEBI:218972) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,4E,10R,12E,14S,15S,18S,19S)-19-benzyl-15-hydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,16-triene-3,6,21-trione
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