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CHEBI:228355 - Merosterolic acid A

Default Structure
ChEBI IDCHEBI:228355
ChEBI NameMerosterolic acid A
Stars
DefinitionMeroterpenoid from Scytonema sp. cyanobacteria
SubmitterMilana99
DownloadsMolfile
FormulaC27H38O4
Net Charge0
Average Mass426.597
Monoisotopic Mass426.27701
SMILES[H][C@@]12CC[C@@]3(C)c4c(C(=O)O)cc(O)c(O)c4C[C@]3([H])[C@@]1(C)CC[C@]1([H])C(C)(C)CCC[C@@]21C
InChIInChI=1S/C27H38O4/c1-24(2)9-6-10-25(3)18(24)7-11-26(4)19(25)8-12-27(5)20(26)14-15-21(27)16(23(30)31)13-17(28)22(15)29/h13,18-20,28-29H,6-12,14H2,1-5H3,(H,30,31)/t18-,19+,20-,25-,26+,27-/m1/s1
InChIKeyVSODJBVPHOOTEU-OBYLJCASSA-N
ChEBI Ontology
Outgoing Relation(s)
Merosterolic acid A (CHEBI:228355) is a organic molecular entity (CHEBI:50860)