input word = C00045202

Metabolite InformationStructural formula
Name Adenanthin B
Formula C26H38O8
Mw 478.25666819
CAS RN 319914-22-2
C_ID C00045202 ,
InChIKey HLNWFWYFLIBXBQ-HCEWPBLXNA-N
InChICode InChI=1S/C26H38O8/c1-12-16-8-17(32-13(2)27)22-25(7)18(24(5,6)19(30)10-20(25)33-14(3)28)9-21(34-15(4)29)26(22,11-16)23(12)31/h16-23,30-31H,1,8-11H2,2-7H3/t16-,17+,18-,19+,20+,21+,22+,23-,25+,26+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]1[C@@]3([C@H](C2)OC(=O)C)C[C@@H](C[C@@H]1OC(=O)C)C(=C)[C@H]3O)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
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OrganismIsodon adenantha
ReferenceJiang,J.Nat.Prod.,65,(2002),1111