CHEBI:81237 - Cinncassiol C3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cinncassiol C3
ChEBI ID CHEBI:81237
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30O7
Net Charge 0
Average Mass 382.44800
Monoisotopic Mass 382.19915
InChI InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3/t11-,13+,15?,16+,17-,18-,19-,20-/m0/s1
InChIKey IJPNDQQOKFKBRG-ZPZYUIKSSA-N
SMILES CC(C)[C@@]1(O)CC(=O)[C@]2(C)C[C@]3(O)O[C@@]4([C@H](O)[C@@H](C)CC[C@]24O)C(=O)[C@]13C
ChEBI Ontology
Outgoing Cinncassiol C3 (CHEBI:81237) is a sesquiterpenoid (CHEBI:26658)
Manual Xref Database
C17641 KEGG COMPOUND
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