input word = C00030618

Metabolite InformationStructural formula
Name Kingianoside D
Formula C45H72O9
Mw 756.5176339
CAS RN 145854-05-3
C_ID C00030618 ,
InChIKey YEPLHFBCHYIXDM-OTQCYGPVNA-N
InChICode InChI=1S/C45H72O19/c1-18(17-58-40-36(54)33(51)31(49)27(15-46)61-40)8-11-45(57)19(2)30-26(64-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)60-41-38(56)35(53)39(20(3)59-41)63-42-37(55)34(52)32(50)28(16-47)62-42/h6,18-20,22-28,30-42,46-47,49-57H,7-17H2,1-5H3/t18-,19+,20-,22+,23-,24+,25+,26+,27-,28-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-/m1/s1
SMILES C[C@H](CCC1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaePolygonatum kingianum COLL.et HEMSL. Ref.
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