input word = C00010782

Metabolite InformationStructural formula
Name Neooleuropein
Formula C32H38O15
Mw 662.22107055
CAS RN 108789-16-8
C_ID C00010782 ,
InChIKey JIMGXIXILGGGKF-KALATREBNA-N
InChICode InChI=1S/C32H38O15/c1-2-18-19(13-26(38)43-9-7-16-3-5-21(34)23(36)11-16)20(30(42)44-10-8-17-4-6-22(35)24(37)12-17)15-45-31(18)47-32-29(41)28(40)27(39)25(14-33)46-32/h2-6,11-12,15,19,25,27-29,31-37,39-41H,7-10,13-14H2,1H3/b18-2+/t19-,25+,27+,28+,29-,31-,32-/m0/s1
SMILES [C@@H]1(/C(=C\C)/[C@@H](OC=C1C(=O)OCCc1ccc(c(c1)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)CC(=O)OCCc1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa vulgaris Ref.
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OrganismSyringa vulgaris
ReferenceYakugaku Zasshi,107,(1987),245