input word = C00013876

Metabolite InformationStructural formula
Name Madreselvin B
Quercetin 3-(6'''-caffeoylgentiobioside)
2-(3,4-Dihydroxyphenyl)-3-[[6-O-[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C36H36O20
Mw 788.17999359
CAS RN 188682-90-8
C_ID C00013876 ,
InChIKey GJXFXMKPVHRYNV-DSIACOIXNA-N
InChICode InChI=1S/C36H36O20/c37-15-9-20(42)25-21(10-15)53-33(14-3-5-17(39)19(41)8-14)34(28(25)46)56-36-32(50)30(48)27(45)23(55-36)12-52-35-31(49)29(47)26(44)22(54-35)11-51-24(43)6-2-13-1-4-16(38)18(40)7-13/h1-10,22-23,26-27,29-32,35-42,44-45,47-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,31+,32-,35-,36+/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera implexa Ref.
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