input word = C00036676

Metabolite InformationStructural formula
Name Acanjaposide A
(+)-Acanjaposide A
Formula C47H72O19
Mw 940.46678012
CAS RN 346722-06-3
C_ID C00036676 ,
InChIKey UCQFMBXHEZNBGP-HELNOFCONA-N
InChICode InChI=1S/C47H72O19/c1-20-9-14-47(16-15-44(4)22(23(47)17-20)7-8-26-43(3)12-11-28(49)46(6,41(58)59)27(43)10-13-45(26,44)5)42(60)66-40-35(56)32(53)30(51)25(64-40)19-61-38-36(57)33(54)37(24(18-48)63-38)65-39-34(55)31(52)29(50)21(2)62-39/h7,21,23-40,48-57H,1,8-19H2,2-6H3,(H,58,59)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,43+,44+,45+,46-,47-/m0/s1
SMILES C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(=C)C1)C(=O)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[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)C)C)(C(=O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax japonicus Ref.
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