input word = C00013609

Metabolite InformationStructural formula
Name Apigenin 7-sophorotrioside
5,7,4'-Trihydroxyflavone 7-sophorotrioside
7-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O20
Mw 756.21129372
CAS RN 205326-78-9
C_ID C00013609 ,
InChIKey BBASQFOHFSQHNF-VGSNRDRONA-N
InChICode InChI=1S/C33H40O20/c34-8-18-22(40)25(43)28(46)31(49-18)52-30-27(45)24(42)20(10-36)51-33(30)53-29-26(44)23(41)19(9-35)50-32(29)47-13-5-14(38)21-15(39)7-16(48-17(21)6-13)11-1-3-12(37)4-2-11/h1-7,18-20,22-38,40-46H,8-10H2/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28-,29+,30-,31+,32-,33+/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Leptostomum macrocarpum Ref.
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