input word = C00047376

Metabolite InformationStructural formula
Name Alpindenoside B
Formula C32H48O13
Mw 640.30949162
CAS RN 1169760-92-2
C_ID C00047376 ,
InChIKey IZXTUEVONKCKCQ-RPHNUAHVNA-N
InChICode InChI=1S/C32H48O13/c1-14-23(35)25(37)27(39)29(42-14)45-28-26(38)24(36)19(11-33)43-30(28)44-21-7-8-32(4)17-10-18(16-9-22(34)41-13-16)40-12-15(17)5-6-20(32)31(21,2)3/h9,14,18-21,23-30,33,35-39H,5-8,10-13H2,1-4H3/t14-,18+,19+,20+,21-,23-,24+,25+,26-,27+,28+,29-,30-,32+/m0/s1
SMILES C1C2=C(CO[C@H]1C1=CC(=O)OC1)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)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia densespicata Ref.
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OrganismAlpinia densespicata
ReferenceKuo,J.Nat.Prod.,72,(2009),1097