input word = C00003560

Metabolite InformationStructural formula
Name Yiamoloside B
Formula C43H68O15
Mw 824.4558215
CAS RN 80311-28-0
C_ID C00003560 ,
InChIKey IDTIOCYBMWJUGJ-QRCQPSGWNA-N
InChICode InChI=1S/C43H68O15/c1-38(2)25-10-13-42(6)26(9-8-21-22-18-39(3,37(53)54-7)14-16-43(22,36(51)52)17-15-41(21,42)5)40(25,4)12-11-27(38)57-34-32(50)30(48)33(24(20-45)56-34)58-35-31(49)29(47)28(46)23(19-44)55-35/h8,22-35,44-50H,9-20H2,1-7H3,(H,51,52)/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34+,35-,39-,40-,41+,42+,43-/m0/s1
SMILES COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(CO)[C@H](O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)[C@H](O)C6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca octandra Ref.
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OrganismPhytolacca octandra
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53