input word = C00006092

Metabolite InformationStructural formula
Name Isohemiphloin
(S)-8-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone
(2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C21H22O10
Mw 434.12129692
CAS RN 3682-02-8
C_ID C00006092 ,
InChIKey VPQWOQSQAVBHEV-IKSFYVPFNA-N
InChICode InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13-,14-,17+,18-,19+,21-/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@@H](CC2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia retinodes Ref.
PlantaeFabaceaeDalbergia odorifera Ref.
PlantaeMyrtaceaeEucalyptus hemiphloia Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
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OrganismTaxus chinensis
ReferenceShao, F. et al., Sci. Rep., 9, (2019), 17647.