input word = C00039197

Metabolite InformationStructural formula
Name Excisanin B
Formula C22H32O6
Mw 392.21988875
CAS RN 78536-36-4
C_ID C00039197 ,
InChIKey VAAUVQKKXHANPM-YTGBQPNTNA-N
InChICode InChI=1S/C22H32O6/c1-10-17-12(28-11(2)23)8-14-21(5)13(20(3,4)7-6-15(21)24)9-16(25)22(14,18(10)26)19(17)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14-,15-,16+,17-,19-,21+,22+/m0/s1
SMILES C=C1C(=O)C23C(O)C1[C@@H](OC(C)=O)C[C@H]2[C@@]1(C)[C@H](C[C@H]3O)C(C)(C)CC[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonicus Ref.
zoom in