input word = C00041238

Metabolite InformationStructural formula
Name 12-Dehydroxyghalakinoside
(+)-12-Dehydroxyghalakinoside
Formula C29H42O10
Mw 550.27779756
CAS RN 912539-81-2
C_ID C00041238 ,
InChIKey XBOFBVPWPXVCGR-XLLCTGPWNA-N
InChICode InChI=1S/C29H42O10/c1-26-6-4-18-19(28(26,34)7-5-20(26)21-9-16(32)13-36-21)3-2-15-8-22-23(11-27(15,18)14-31)39-29(35)24(33)10-17(12-30)37-25(29)38-22/h9,15,17-20,22-25,30-31,33-35H,2-8,10-14H2,1H3/t15-,17-,18-,19+,20+,22+,23+,24+,25-,26+,27+,28-,29-/m0/s1
SMILES C1[C@H](O[C@@H]2[C@]([C@@H]1O)(O[C@H]1[C@H](O2)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)CO1)C)O)CO)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaePergularia tomentosa Ref.
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OrganismPergularia tomentosa
ReferenceHamed,J.Nat.Prod.,69,(2006),1319