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CHEBI:223378 - Colposetin C

ChEBI IDCHEBI:223378
ChEBI NameColposetin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O4.CH4
Net Charge0
Average Mass322.445
Monoisotopic Mass322.21441
SMILESC.CC1=C[C@@H]2C[C@H](C)CCC2[C@]2(C)C(=O)O[C@H](C(=O)O)[C@@H](C)[C@H]12
InChIInChI=1S/C18H26O4.CH4/c1-9-5-6-13-12(7-9)8-10(2)14-11(3)15(16(19)20)22-17(21)18(13,14)4;/h8-9,11-15H,5-7H2,1-4H3,(H,19,20);1H4/t9-,11+,12+,13?,14+,15+,18+;/m1./s1
InChIKeyDZINDAVQKCYZRI-CRJYUTKZSA-N
Species of MetaboliteComponentSourceComments
Colpomaspecies (ncbitaxon:2040736) - PubMed (34067463)
ChEBI Ontology
Outgoing Relation(s)
Colposetin C (CHEBI:223378) is a oxo steroid (CHEBI:35789)