input word = C00003069

Metabolite InformationStructural formula
Name Allamandin
Formula C15H16O7
Mw 308.08960287
CAS RN 51820-82-7
C_ID C00003069 ,
InChIKey UEOKCUGZTJHPBW-NXDJLFJWNA-N
InChICode InChI=1S/C15H16O7/c1-3-6-10-15(22-11(6)16)5-4-7-8(12(17)19-2)13(18)21-14(20-10)9(7)15/h3-5,7-10,13-14,18H,1-2H3/b6-3+/t7?,8-,9-,10+,13+,14+,15-/m1/s1
SMILES [C@H]12O[C@@H]([C@H]([C@@H]3[C@H]1[C@]1(C=C3)[C@@H](O2)/C(=C\C)/C(=O)O1)C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAllamanda cathartica Ref.
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