CHEBI:6697 - Mascaroside

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ChEBI Name Mascaroside
ChEBI ID CHEBI:6697
Stars This entity has been manually annotated by a third party.
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Formula C26H36O11
Net Charge 0
Average Mass 524.558
Monoisotopic Mass 524.22576
InChI InChI=1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3/t11-,13-,14+,16-,17-,18+,19-,21+,22-,23-,24-,25-,26+/m1/s1
InChIKey SJBDVPKAXKLGPV-UKNYEQEFSA-N
SMILES C[C@@]12CC(=O)c3occc3[C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3O
ChEBI Ontology
Outgoing Mascaroside (CHEBI:6697) is a naphthofuran (CHEBI:39270)
Synonym Source
Mascaroside KEGG COMPOUND
Manual Xrefs Databases
C00003453 KNApSAcK
C09132 KEGG COMPOUND
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Registry Number Type Source
55465-97-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014