CHEBI:80872 - Nigakilactone E

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ChEBI Name Nigakilactone E
ChEBI ID CHEBI:80872
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H34O8
Net Charge 0
Average Mass 450.52200
Monoisotopic Mass 450.22537
InChI InChI=1S/C24H34O8/c1-11-8-14(29-6)20(27)22(3)13(11)9-16-23(4)15(10-17(26)32-16)24(5,28)21(30-7)18(19(22)23)31-12(2)25/h8,11,13,15-16,18-19,21,28H,9-10H2,1-7H3/t11-,13+,15-,16-,18+,19-,21-,22+,23-,24+/m1/s1
InChIKey ISYHXQAQWVPQKA-SNPVAWBPSA-N
SMILES CO[C@@H]1[C@@H](OC(C)=O)[C@H]2[C@@]3(C)[C@@H](C[C@H]4[C@H](C)C=C(OC)C(=O)[C@]24C)OC(=O)C[C@H]3[C@]1(C)O
ChEBI Ontology
Outgoing Nigakilactone E (CHEBI:80872) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C17030 KEGG COMPOUND
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Registry Number Type Source
28360-79-4 CAS Registry Number KEGG COMPOUND