input word = C00041304

Metabolite InformationStructural formula
Name Acanthopanaxoside A
(+)-Acanthopanaxoside A
Formula C60H94O27
Mw 1246.5982478
CAS RN 915792-02-8
C_ID C00041304 ,
InChIKey DMCAIQPOZBXYTA-BVXJHMFBNA-N
InChICode InChI=1S/C60H94O27/c1-24-11-16-60(55(76)87-53-46(74)42(70)39(67)31(82-53)22-79-50-47(75)43(71)48(32(83-50)23-77-26(3)62)85-51-44(72)40(68)36(64)25(2)80-51)18-17-58(7)27(28(60)19-24)9-10-34-57(6)14-13-35(56(4,5)33(57)12-15-59(34,58)8)84-54-49(37(65)29(63)21-78-54)86-52-45(73)41(69)38(66)30(20-61)81-52/h9,25,28-54,61,63-75H,1,10-23H2,2-8H3/t25-,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-,57-,58+,59+,60-/m0/s1
SMILES C1[C@@H]2[C@](CCC1=C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)C)C)C)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)COC(=O)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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