input word = C00047385

Metabolite InformationStructural formula
Name Arboreaside A
(-)-Arboreaside A
Formula C54H88O23
Mw 1104.57163912
CAS RN 1154519-74-0
C_ID C00047385 ,
InChIKey LTETXBLTWNQKFH-RUFMYPOCNA-N
InChICode InChI=1S/C54H88O23/c1-23-32(58)35(61)40(66)45(71-23)76-43-27(20-56)73-46(42(68)38(43)64)75-31-11-12-50(4)29(51(31,5)22-57)10-13-53(7)30(50)9-8-24-25-18-49(2,3)14-16-54(25,17-15-52(24,53)6)48(69)77-47-41(67)37(63)34(60)28(74-47)21-70-44-39(65)36(62)33(59)26(19-55)72-44/h8,23,25-47,55-68H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/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]2CC(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.
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