input word = C00037636

Metabolite InformationStructural formula
Name Picramnioside E
(+)-Picramnioside E
Formula C27H24O10
Mw 508.13694699
CAS RN 238753-48-5
C_ID C00037636 ,
InChIKey KJRJUXVMCQKUFG-KKICQOPYNA-N
InChICode InChI=1S/C27H24O10/c1-11-7-14-18(15-9-13(28)10-17(30)20(15)21(31)19(14)16(29)8-11)25-23(33)22(32)24(34)27(36-25)37-26(35)12-5-3-2-4-6-12/h2-10,18,22-25,27-30,32-34H,1H3/t18-,22-,23+,24-,25+,27+/m0/s1
SMILES Cc1cc(O)c2c(c1)[C@H]([C@H]1O[C@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]1O)c1cc(O)cc(O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePicramniaceaePicramnia teapensis Tul. Ref.
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