input word = C00049160

Metabolite InformationStructural formula
Name Eriocalyxin E
Formula C22H26O6
Mw 386.17293856
CAS RN 230967-75-6
C_ID C00049160 ,
InChIKey FPJDSNSCWOWHGQ-OEVKFGIDNA-N
InChICode InChI=1S/C22H26O6/c1-12-14-5-6-15-21(9-14,18(12)28-13(2)24)19(26)27-11-22(15)16(10-23)20(3,4)8-7-17(22)25/h7-8,10,14-16,18H,1,5-6,9,11H2,2-4H3/t14-,15-,16-,18-,21+,22-/m1/s1
SMILES C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)OC[C@]32C(=O)C=CC(C)(C)[C@H]2C=O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon eriocalyx Ref.
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