input word = C00047386

Metabolite InformationStructural formula
Name Arboreaside B
(+)-Arboreaside B
Formula C54H88O23
Mw 1104.57163912
CAS RN 1154519-76-2
C_ID C00047386 ,
InChIKey SQXFHRHOUUXISQ-NGWQNXKFNA-N
InChICode InChI=1S/C54H88O23/c1-22-10-15-54(49(69)77-48-42(67)38(63)35(60)28(74-48)20-70-45-40(65)37(62)34(59)26(18-55)72-45)17-16-52(6)25(32(54)23(22)2)8-9-30-50(4)13-12-31(51(5,21-57)29(50)11-14-53(30,52)7)75-47-43(68)39(64)44(27(19-56)73-47)76-46-41(66)36(61)33(58)24(3)71-46/h8,22-24,26-48,55-68H,9-21H2,1-7H3/t22-,23+,24+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37+,38+,39-,40-,41-,42-,43-,44-,45-,46+,47+,48+,50+,51+,52-,53-,54+/m1/s1
SMILES C1[C@]2([C@H]([C@@]([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO)(CO)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2[C@H]([C@@H](CC1)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)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCussonia arborea Ref.
zoom in