CHEBI:9643 - Toxicarol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Toxicarol
ChEBI ID CHEBI:9643
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H22O7
Net Charge 0
Average Mass 410.417
Monoisotopic Mass 410.13655
InChI InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1
InChIKey JLTNCZQNGBLBGO-MOPGFXCFSA-N
SMILES COc1cc2OC[C@H]3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)[C@H]3c2cc1OC
ChEBI Ontology
Outgoing Toxicarol (CHEBI:9643) is a isoflavanones (CHEBI:38741)
Synonyms Sources
alpha-Toxicarol KEGG COMPOUND
Toxicarol KEGG COMPOUND
Manual Xrefs Databases
C00002580 KNApSAcK
C10537 KEGG COMPOUND
View more database links
Registry Number Type Source
82-09-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014