input word = C00030854

Metabolite InformationStructural formula
Name Notoginsenoside Q
(+)-Notoginsenoside Q
Formula C63H106O30
Mw 1342.67689205
CAS RN 575446-93-4
C_ID C00030854 ,
InChIKey KEQXHOWXGVHEHV-XFNGRVDDNA-N
InChICode InChI=1S/C63H106O30/c1-25(2)10-9-14-63(8,93-56-50(81)44(75)42(73)32(89-56)23-84-53-49(80)43(74)33(24-85-53)88-54-47(78)38(69)28(67)21-82-54)26-11-16-62(7)37(26)27(66)18-35-60(5)15-13-36(59(3,4)34(60)12-17-61(35,62)6)90-57-51(45(76)40(71)30(19-64)86-57)92-58-52(46(77)41(72)31(20-65)87-58)91-55-48(79)39(70)29(68)22-83-55/h10,26-58,64-81H,9,11-24H2,1-8H3/t26-,27+,28+,29+,30+,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42+,43-,44-,45-,46-,47+,48+,49-,50+,51+,52+,53+,54-,55-,56-,57+,58-,60-,61+,62+,63-/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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
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