input word = C00032113

Metabolite InformationStructural formula
Name Pastuchoside D
Formula C59H96O26
Mw 1220.61898324
CAS RN 689257-60-1
C_ID C00032113 ,
InChIKey HWPVSTHIDBJQHB-VDEGBENUNA-N
InChICode InChI=1S/C59H96O26/c1-24-34(62)39(67)44(72)49(78-24)84-47-38(66)30(82-50-45(73)41(69)36(64)28(21-61)80-50)23-77-52(47)83-33-12-13-56(6)31(55(33,4)5)11-14-58(8)32(56)10-9-25-26-19-54(2,3)15-17-59(26,18-16-57(25,58)7)53(75)85-51-46(74)42(70)37(65)29(81-51)22-76-48-43(71)40(68)35(63)27(20-60)79-48/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26-,27+,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-,56-,57+,58+,59-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(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)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)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)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHedera pastuchowii Ref.
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OrganismHedera pastuchowii
ReferenceMshvildadze,Chem.Pharm.Bull.,52,(2004),1411