CHEBI:9876 - Undulatone

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ChEBI Name Undulatone
ChEBI ID CHEBI:9876
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H34O11
Net Charge 0
Average Mass 534.553
Monoisotopic Mass 534.21011
InChI InChI=1S/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15-,16-,17-,18-,19-,20-,21-,24-,25-,26-,27+/m1/s1
InChIKey VKCVPDRXEYKUOZ-ZZWVBLAUSA-N
SMILES C\C=C(/C)C(=O)O[C@H]1[C@H]2OC(=O)[C@H](OC(C)=O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@H]4[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@H]12
ChEBI Ontology
Outgoing Undulatone (CHEBI:9876) is a triterpenoid (CHEBI:36615)
Synonym Source
Undulatone KEGG COMPOUND
Manual Xrefs Databases
C00003735 KNApSAcK
C08787 KEGG COMPOUND
View more database links
Registry Number Type Source
70993-77-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014