input word = C00014332

Metabolite InformationStructural formula
Name Coccinoside B
5,7,2',5'-Tetrahydroxyflavanone 7-glucoside
(2S)-5,7,2',5'-Tetrahydroxyflavonone 7-O-beta-D-glucopyranoside
Formula C21H22O11
Mw 450.11621155
CAS RN 146555-77-3
C_ID C00014332 ,
InChIKey YQTWPPLBGYVRIV-UYIAGQEGNA-N
InChICode InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)10-3-8(23)1-2-11(10)24/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16-,18-,19+,20-,21-/m1/s1
SMILES O=C1CC(c2cc(O)ccc2O)Oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria amabilis HARA Ref.
PlantaeRosaceaePyracantha coccinea Ref.
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OrganismPyracantha coccinea
ReferenceBilia,J.Nat.Prod.,55,(1992),1741