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@H]1([C@@]23[C@@H](C[C@@H]4C(CC[C@@H]([C@]4([C@@H]2C[C@@H]([C@@H]1C(=C)C3=O)OC(=O)C)C)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonicus Ref.
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OrganismIsodon japonicus
ReferenceHong,J.Nat.Prod.,71,(2008),1055