input word = C00047378

Metabolite InformationStructural formula
Name Alpindenoside D
Formula C34H52O15
Mw 700.33062099
CAS RN 1169760-94-4
C_ID C00047378 ,
InChIKey KBMKNCLATWBFFV-USOGCKKXNA-N
InChICode InChI=1S/C34H52O15/c1-14-24(37)26(39)28(41)31(45-14)49-29-27(40)25(38)20(13-43-15(2)35)47-32(29)48-22-8-9-34(5)18-11-19(16-10-23(36)44-12-16)46-30(42)17(18)6-7-21(34)33(22,3)4/h10,14,17-22,24-32,37-42H,6-9,11-13H2,1-5H3/t14-,17-,18-,19-,20+,21-,22-,24-,25+,26+,27-,28+,29+,30+,31-,32-,34-/m0/s1
SMILES C1[C@H]2[C@@H]([C@@H](O[C@@H]1C1=CC(=O)OC1)O)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[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia densespicata Ref.
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