input word = C00032647

Metabolite InformationStructural formula
Name 3-Epibetulinic acid 28-O-alpha-L-rhamnopyranosyl-(1-.4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
(-)-3-Epibetulinic acid 28-O-alpha-L-rhamnopyranosyl-(1-.4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
Formula C48H78O17
Mw 926.52390107
CAS RN 136182-02-0
C_ID C00032647 ,
InChIKey KRJGIYUSEZHRFC-YKEQTXGGNA-N
InChICode InChI=1S/C48H78O17/c1-21(2)23-11-16-48(18-17-46(7)24(30(23)48)9-10-28-45(6)14-13-29(50)44(4,5)27(45)12-15-47(28,46)8)43(59)65-42-37(57)34(54)32(52)26(63-42)20-60-40-38(58)35(55)39(25(19-49)62-40)64-41-36(56)33(53)31(51)22(3)61-41/h22-42,49-58H,1,9-20H2,2-8H3/t22-,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48-/m0/s1
SMILES C1[C@]2([C@H](C([C@@H](C1)O)(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@@]1([C@H]2[C@@H](CC1)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)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax gracilistylus Ref.
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