input word = C00031325

Metabolite InformationStructural formula
Name Scroside D
(-)-Scroside D
Formula C30H38O16
Mw 654.21598517
CAS RN 705964-02-9
C_ID C00031325 ,
InChIKey SCMLVRWSBIVDLC-KCFGPYQMNA-N
InChICode InChI=1S/C30H38O16/c1-41-19-11-14(3-6-17(19)34)4-7-22(36)45-27-21(13-32)44-29(42-9-8-15-2-5-16(33)18(35)10-15)26(40)28(27)46-30-25(39)24(38)23(37)20(12-31)43-30/h2-7,10-11,20-21,23-35,37-40H,8-9,12-13H2,1H3/b7-4+/t20-,21-,23-,24+,25-,26-,27-,28-,29-,30+/m1/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariiflora Ref.
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