input word = C00029700

Metabolite InformationStructural formula
Name Apigenin 7-O-beta-D-glucopyranosyl (1->6)-beta-D-glucopyranoside
Formula C27H30O15
Mw 594.15847029
CAS RN 50826-94-3
C_ID C00029700 ,
InChIKey XDMJJZUUHWWITI-NGKDWPIANA-N
InChICode InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAsystasia gangetica L. Ref.
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