input word = C00049676

Metabolite InformationStructural formula
Name Sinomarinoside D
(-)-Sinomarinoside D
Formula C42H68O16
Mw 828.45073613
CAS RN 235426-85-4
C_ID C00049676 ,
InChIKey WJGXGSSGIYXFES-ZLPGSAOMNA-N
InChICode InChI=1S/C42H68O16/c1-20-32(45)36(52-9)33(46)37(55-20)58-35-22(3)54-31(18-27(35)51-8)57-34-21(2)53-30(17-26(34)50-7)56-25-11-12-38(5)24(16-25)10-13-41(48)28(38)19-29(44)39(6)40(47,23(4)43)14-15-42(39,41)49/h10,20-22,25-37,44-49H,11-19H2,1-9H3/t20-,21-,22-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41+,42-/m1/s1
SMILES C1[C@H]2[C@]([C@@]3([C@]([C@@H]1O)([C@@](CC3)(C(=O)C)O)C)O)(CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O)C)OC)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinomarsdenia incisa Ref.
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