input word = C00035160

Metabolite InformationStructural formula
Name Scrophoside A
(-)-Scrophoside A
Formula C38H62O11
Mw 694.42921282
CAS RN 920746-12-9
C_ID C00035160 ,
InChIKey ZFZUVOGTEOWRBB-YWFOUHFGNA-N
InChICode InChI=1S/C38H62O11/c1-19(23(41)12-13-34(3,4)49-20(2)40)28-24(42)17-38(9)27-11-10-21-22(36(27,7)14-15-37(28,38)8)16-25(32(46)35(21,5)6)47-33-31(45)30(44)29(43)26(18-39)48-33/h10,19,22,24-33,39,42-46H,11-18H2,1-9H3/t19-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32+,33-,36+,37-,38+/m1/s1
SMILES [C@H]1([C@@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)(CC[C@]1([C@]3(C[C@H]([C@@H]1[C@H](C)C(=O)CCC(C)(C)OC(=O)C)O)C)C)C)(C)C)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
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
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