input word = C00056993

Metabolite InformationStructural formula
Name Moracin C 3',5'-diglucoside
Formula C31H38O14
Mw 634.22615592
CAS RN 1258012-96-2
C_ID C00056993
InChIKey OKINFCZAQJXGTQ-GNZBLXBPSA-N
InChICode InChI=1S/C31H38O14/c1-13(2)3-6-17-20(42-30-28(39)26(37)24(35)22(11-32)44-30)8-15(18-7-14-4-5-16(34)10-19(14)41-18)9-21(17)43-31-29(40)27(38)25(36)23(12-33)45-31/h3-5,7-10,22-40H,6,11-12H2,1-2H3/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31-/m1/s1
SMILES OC[C@H]([C@@H](O)[C@H](O)[C@H]1O)O[C@H]1OC2=C(C/C=C(C)C)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(C4=CC5=C(C=C(O)C=C5)O4)=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
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