input word = C00049013

Metabolite InformationStructural formula
Name Shanciol A
(+)-Shanciol A
Formula C26H28O7
Mw 452.18350325
CAS RN 208106-51-8
C_ID C00049013 ,
InChIKey WDWBDTMIXFXVMO-GREGDHHGNA-N
InChICode InChI=1S/C26H28O7/c1-30-19-10-16(8-7-15-5-4-6-18(27)9-15)20-14-21(28)26(33-22(20)13-19)17-11-23(31-2)25(29)24(12-17)32-3/h4-6,9-13,21,26-29H,7-8,14H2,1-3H3/t21-,26+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H](C2)O)c1cc(c(c(c1)OC)O)OC)CCc1cc(ccc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaePleione bulbocodioides Ref.
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