input word = C00032468

Metabolite InformationStructural formula
Name Uvaol 3-O-palmitate
(+)-Gentiatriculin
Formula C46H80O3
Mw 680.61074642
CAS RN 116310-00-0
C_ID C00032468 ,
InChIKey WRLVTAGLGBPGQA-ZLDCOVQTNA-N
InChICode InChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)49-39-27-28-43(6)37(42(39,4)5)26-29-45(8)38(43)24-23-36-41-35(3)34(2)25-30-46(41,33-47)32-31-44(36,45)7/h23,34-35,37-39,41,47H,9-22,24-33H2,1-8H3/t34-,35+,37+,38-,39+,41+,43+,44-,45-,46-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)CO)C)C)C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana lutea Ref.
--Gnetiana lutea Ref.
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OrganismGentiana lutea
ReferenceAndo,J.Nat.Med.,61,(2007),269