input word = C00030864

Metabolite InformationStructural formula
Name Notoginsenoside T
(-)-Notoginsenoside T
Formula C64H108O31
Mw 1372.68745674
CAS RN 575446-96-7
C_ID C00030864 ,
InChIKey MYCOIXOUZMKBTK-BKPXTQGTNA-N
InChICode InChI=1S/C64H108O31/c1-25(2)10-9-14-64(8,95-57-49(82)44(77)42(75)33(90-57)24-86-56-50(83)51(43(76)32(21-67)87-56)92-54-47(80)38(71)28(69)22-84-54)26-11-16-63(7)37(26)27(68)18-35-61(5)15-13-36(60(3,4)34(61)12-17-62(35,63)6)91-58-52(45(78)40(73)30(19-65)88-58)94-59-53(46(79)41(74)31(20-66)89-59)93-55-48(81)39(72)29(70)23-85-55/h10,26-59,65-83H,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-,59-,61-,62+,63+,64-/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]([C@H](O1)CO)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)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 notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
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