input word = C00037688

Metabolite InformationStructural formula
Name Prionitiside B
Formula C27H30O16
Mw 610.15338491
CAS RN 178273-46-6
C_ID C00037688 ,
InChIKey HIJRVCJWFOZBPS-VNLCEUAZNA-N
InChICode InChI=1S/C27H30O16/c1-8-18(32)20(34)22(36)26(40-8)39-7-15-19(33)21(35)23(37)27(42-15)43-25(38)17-16-13(31)5-10(28)6-14(16)41-24(17)9-2-3-11(29)12(30)4-9/h2-6,8,15,18-23,26-37H,7H2,1H3/t8-,15+,18-,19+,20+,21-,22+,23+,26+,27-/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)c3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia prionitis Ref.
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OrganismSalvia prionitis
ReferenceLu,Phytochem.,59,(2002),117