input word = C00038403

Metabolite InformationStructural formula
Name Alboside III
(-)-Alboside III
Formula C26H32O12
Mw 536.18937649
CAS RN 239791-88-9
C_ID C00038403 ,
InChIKey NGGRQHCWDPKXGJ-OCUVXVPNNA-N
InChICode InChI=1S/C26H32O12/c1-12-17(28)9-15-16(24(32)33)11-35-25(20(12)15)38-26-23(22(31)21(30)18(10-27)36-26)37-19(29)8-5-13-3-6-14(34-2)7-4-13/h3-8,11-12,15,17-18,20-23,25-28,30-31H,9-10H2,1-2H3,(H,32,33)/b8-5+/t12-,15+,17-,18+,20-,21+,22-,23+,25-,26-/m0/s1
SMILES COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3OC=C(C(=O)O)[C@H]4C[C@H](O)[C@H](C)[C@@H]34)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana straminea Ref.
--Chioccoca alba Ref.
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