input word = C00030446

Metabolite InformationStructural formula
Name Gypenoside XV
Formula C52H88O21
Mw 1048.58180988
CAS RN 88480-44-8
C_ID C00030446 ,
InChIKey DMWNOMDRYALDDY-UHFFFAOYNA-N
InChICode InChI=1S/C52H88O21/c1-23(2)10-9-14-52(8,73-46-42(65)39(62)37(60)29(70-46)22-68-44-40(63)34(57)26(55)20-66-44)24-11-16-51(7)33(24)25(54)18-31-49(5)15-13-32(48(3,4)30(49)12-17-50(31,51)6)71-47-43(35(58)27(56)21-67-47)72-45-41(64)38(61)36(59)28(19-53)69-45/h10,24-47,53-65H,9,11-22H2,1-8H3/t24-,25-,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+,46+,47+,49+,50+,51-,52-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@@]2([C@H]([C@H](C1)O)[C@H](CC2)[C@](CCC=C(C)C)(O[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)C)C)C)C)(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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
--Gymnostemma pentaphyllum Ref.
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