input word = C00042830

Metabolite InformationStructural formula
Name Parvispinoside A
(+)-Parvispinoside A
Formula C56H94O29
Mw 1230.58807705
CAS RN 869300-15-2
C_ID C00042830 ,
InChIKey PYVSHVUPVKOSBE-CJLOTRHJNA-N
InChICode InChI=1S/C56H94O29/c1-20(18-75-49-43(71)39(67)36(64)30(14-57)78-49)7-10-56(74)21(2)34-29(85-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)77-51-45(73)41(69)46(33(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)31(15-58)79-52)47(38(66)32(16-59)80-53)83-50-42(70)35(63)27(62)19-76-50/h20-53,57-74H,5-19H2,1-4H3/t20-,21+,22+,23-,24+,25+,26-,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-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)O[C@@]([C@H]1C)(CC[C@H](CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)O)C)CC[C@@H]1[C@@]2(C[C@H]([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)CO)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus parvispinus Presl Ref.
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OrganismTribulus parvispinus Presl
ReferencePerrone,J.Nat.Prod.,68,(2005),1549