input word = C00010119

Metabolite InformationStructural formula
Name Orobol 7-O-glucoside
Oroboside
Formula C21H20O11
Mw 448.10056148
CAS RN 20486-33-3
C_ID C00010119 ,
InChIKey WJHSRFQBVYHKKL-NXBQWJJBNA-N
InChICode InChI=1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-10(17(16)26)8-1-2-11(23)12(24)3-8/h1-5,7,15,18-25,27-29H,6H2/t15-,18+,19-,20+,21+/m0/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(c(c2)O)O)c(c1)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum lineare Ref.
PlantaeFabaceaeBaptisia spp. Ref.
PlantaeFabaceaeLupinus albus L. Ref.
PlantaeFabaceaeLupinus spp. Ref.
PlantaeFabaceaeThermopsis spp. Ref.
--Bryum capillare Ref.
--Orobus tuberosus Ref.
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