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CHEBI:223373 - Colposetin B

ChEBI IDCHEBI:223373
ChEBI NameColposetin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO5.H2
Net Charge0
Average Mass433.589
Monoisotopic Mass433.28282
SMILESCC[C@H](C(=O)O)[C@@H]1C(C)=C[C@@H]2C[C@H](C)CC[C@@]2(C)[C@]1(C)C(O)=C1C(=O)[C@@H](C)N(C)C1=O.[HH]
InChIInChI=1S/C25H37NO5.H2/c1-8-17(23(30)31)19-14(3)12-16-11-13(2)9-10-24(16,5)25(19,6)21(28)18-20(27)15(4)26(7)22(18)29;/h12-13,15-17,19,28H,8-11H2,1-7H3,(H,30,31);1H/t13-,15-,16+,17+,19+,24-,25+;/m1./s1
InChIKeyIAVIKPBVAIONRE-ZXHDCSFISA-N
Species of MetaboliteComponentSourceComments
Colpomaspecies (ncbitaxon:2040736) - PubMed (34067463)
ChEBI Ontology
Outgoing Relation(s)
Colposetin B (CHEBI:223373) is a diterpenoid (CHEBI:23849)