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CHEBI:228354 - Merosterolic acid B

Default Structure
ChEBI IDCHEBI:228354
ChEBI NameMerosterolic acid B
Stars
DefinitionMeroterpenoid from Scytonema sp. cyanobacteria mutant
SubmitterMilana99
DownloadsMolfile
FormulaC27H38O4
Net Charge0
Average Mass426.597
Monoisotopic Mass426.27701
SMILES[H][C@@]12CCC(=C)[C@]([H])(Cc3cc(C(=O)O)cc(O)c3O)[C@@]1(C)CC[C@]1([H])C(C)(C)CCC[C@@]21C
InChIInChI=1S/C27H38O4/c1-16-7-8-22-26(4,12-9-21-25(2,3)10-6-11-27(21,22)5)19(16)14-17-13-18(24(30)31)15-20(28)23(17)29/h13,15,19,21-22,28-29H,1,6-12,14H2,2-5H3,(H,30,31)/t19-,21+,22+,26+,27+/m0/s1
InChIKeyANTLVDCACHPFMI-FHUWYTBFSA-N
ChEBI Ontology
Outgoing Relation(s)
Merosterolic acid B (CHEBI:228354) is a organic molecular entity (CHEBI:50860)