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CHEBI:81408 - Grandifloric acid

ChEBI IDCHEBI:81408
ChEBI NameGrandifloric acid
Stars
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O)C(=C)[C@@H]4O
InChIInChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13?,14-,15-,16-,18+,19+,20+/m0/s1
InChIKeyGVGJRXSJJHLPGZ-WOBUGCKXSA-N
ChEBI Ontology
Outgoing Relation(s)
Grandifloric acid (CHEBI:81408) is a kaurane diterpenoid (CHEBI:53666)
Manual XrefsDatabases
C17956KEGG COMPOUND
Registry NumbersSources
CAS:22338-69-8KEGG COMPOUND