input word = C00045610

Metabolite InformationStructural formula
Name Actaeaepoxide 3-O-beta-D-xylopyranoside
(+)-Actaeaepoxide 3-O-beta-D-xylopyranoside
Formula C37H56O11
Mw 676.38226263
CAS RN 356522-35-5
C_ID C00045610 ,
InChIKey CNSJLMJKDVWQGM-RXKOQLPJNA-N
InChICode InChI=1S/C37H56O11/c1-17-25-20(47-37(28(17)42)30(48-37)32(5,6)43)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35+,36-,37-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1CC[C@@]23[C@H](C1(C)C)CC=C1[C@]2(C[C@H]([C@]2([C@]1(C[C@H]1[C@@H]2[C@@H]([C@H]([C@]2(O1)O[C@H]2C(C)(C)O)O)C)C)C)OC(=O)C)C3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeActaea racemosa Ref.
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OrganismActaea racemosa
ReferenceWende,J.Nat.Prod.,64,(2001),986