input word = C00047389

Metabolite InformationStructural formula
Name Arboreaside E
(+)-Arboreaside E
Formula C54H88O22
Mw 1088.5767245
CAS RN 1154519-79-5
C_ID C00047389 ,
InChIKey XHKGBPQZSYQTGA-LVRFAIETNA-N
InChICode InChI=1S/C54H88O22/c1-23-32(57)36(61)40(65)44(70-23)75-43-39(64)34(59)27(21-56)72-47(43)69-22-28-35(60)38(63)42(67)46(73-28)76-48(68)54-17-15-49(2,3)19-25(54)24-9-10-30-51(6)13-12-31(74-45-41(66)37(62)33(58)26(20-55)71-45)50(4,5)29(51)11-14-53(30,8)52(24,7)16-18-54/h9,23,25-47,55-67H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)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)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCussonia arborea Ref.
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