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CHEBI:9612 - Tokoronin

Default Structure
ChEBI IDCHEBI:9612
ChEBI NameTokoronin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H52O9
Net Charge0
Average Mass580.759
Monoisotopic Mass580.36113
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])C[C@]5([H])O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@]5([H])[C@@]4(C)CC[C@]3([H])[C@@]1(C)[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C2
InChIInChI=1S/C32H52O9/c1-15-7-10-32(39-13-15)16(2)24-23(41-32)12-20-18-6-5-17-11-21(33)26(36)28(31(17,4)19(18)8-9-30(20,24)3)40-29-27(37)25(35)22(34)14-38-29/h15-29,33-37H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31+,32-/m1/s1
InChIKeyGZMNAJUVLAIUAJ-QULIKHEVSA-N
ChEBI Ontology
Outgoing Relation(s)
Tokoronin (CHEBI:9612) is a triterpenoid (CHEBI:36615)
Synonym  Source
TokoroninKEGG COMPOUND
Manual XrefsDatabases
C00003595KNApSAcK
C08916KEGG COMPOUND
Registry NumbersSources
CAS:27530-69-4KEGG COMPOUND