input word = C00030853

Metabolite InformationStructural formula
Name Notoginsenoside O
(+)-Notoginsenoside O
Formula C52H88O21
Mw 1048.58180988
CAS RN 575446-89-8
C_ID C00030853 ,
InChIKey NTAJLZDIWQCQKN-YNQIRRQONA-N
InChICode InChI=1S/C52H88O21/c1-23(2)10-9-14-52(8,73-47-41(64)38(61)36(59)29(70-47)22-68-44-42(65)43(27(56)21-66-44)72-45-39(62)34(57)26(55)20-67-45)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)71-46-40(63)37(60)35(58)28(19-53)69-46/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@](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[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O)O)(C)CCC=C(C)C)C)C)C)(C)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
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