input word = C00043553

Metabolite InformationStructural formula
Name Gynoside A
(-)-Gynoside A
Formula C41H70O13
Mw 770.48164232
CAS RN 750635-74-6
C_ID C00043553 ,
InChIKey QAKYPUDKYKSDPU-AFNHZOBKNA-N
InChICode InChI=1S/C41H70O13/c1-36(2)24-10-15-39(6)25(17-21(43)28-20(9-14-40(28,39)7)41(8)16-12-27(54-41)37(3,4)49)38(24,5)13-11-26(36)52-35-33(29(45)22(44)19-50-35)53-34-32(48)31(47)30(46)23(18-42)51-34/h20-35,42-49H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,38-,39+,40+,41-/m0/s1
SMILES C1[C@H]2[C@]([C@]3([C@H]([C@@H]1O)[C@H](CC3)[C@]1(O[C@@H](CC1)C(C)(C)O)C)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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