input word = C00006157

Metabolite InformationStructural formula
Name Orobol 6-C-(6''-acetylglucoside)
Formula C23H22O12
Mw 490.11112617
CAS RN 118949-91-0
C_ID C00006157 ,
InChIKey ZIKWNNIZDCRJGO-KZYPKNNTNA-N
InChICode InChI=1S/C23H22O12/c1-8(24)33-7-15-19(29)21(31)22(32)23(35-15)16-13(27)5-14-17(20(16)30)18(28)10(6-34-14)9-2-3-11(25)12(26)4-9/h2-6,15,19,21-23,25-27,29-32H,7H2,1H3/t15-,19-,21+,22-,23+/m1/s1
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(c(c1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia monetaria Ref.
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