CHEBI:81408 - Grandifloric acid

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ChEBI Name Grandifloric acid
ChEBI ID CHEBI:81408
Stars This entity has been manually annotated by a third party.
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Formula C20H30O3
Net Charge 0
Average Mass 318.45040
Monoisotopic Mass 318.21949
InChI InChI=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
InChIKey GVGJRXSJJHLPGZ-WOBUGCKXSA-N
SMILES C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)[C@@H]3O)C(O)=O
ChEBI Ontology
Outgoing Grandifloric acid (CHEBI:81408) is a kaurane diterpenoid (CHEBI:53666)
Manual Xref Database
C17956 KEGG COMPOUND
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Registry Number Type Source
22338-69-8 CAS Registry Number KEGG COMPOUND