input word = C00047387

Metabolite InformationStructural formula
Name Arboreaside C
(+)-Arboreaside C
Formula C64H104O30
Mw 1352.66124199
CAS RN 1154519-77-3
C_ID C00047387 ,
InChIKey KVAIKUUDUIYPRC-LPQZCSSANA-N
InChICode InChI=1S/C64H104O30/c1-25-36(69)40(73)45(78)54(86-25)92-50-32(24-85-52-44(77)37(70)28(67)22-83-52)89-56(47(80)43(50)76)94-58(82)64-17-15-59(2,3)19-27(64)26-9-10-34-61(6)13-12-35(60(4,5)33(61)11-14-63(34,8)62(26,7)16-18-64)90-57-51(42(75)39(72)31(21-66)88-57)93-53-48(81)49(29(68)23-84-53)91-55-46(79)41(74)38(71)30(20-65)87-55/h9,25,27-57,65-81H,10-24H2,1-8H3/t25-,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+,53-,54-,55-,56-,57-,61-,62+,63+,64-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@@H]2CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCussonia arborea Ref.
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