input word = C00051406

Metabolite InformationStructural formula
Name Macrophyllin B
Formula C22H28O6
Mw 388.18858863
CAS RN 74944-98-2
C_ID C00051406
InChIKey NWXSUVZITFIXOL-ODIMVGEZNA-N
InChICode InChI=1S/C22H28O6/c1-7-8-13-11-22(28-6)12(2)17(18(19(13)23)21(22)24)14-9-15(25-3)20(27-5)16(10-14)26-4/h7,9-12,17-19,23H,1,8H2,2-6H3/t12-,17+,18+,19+,22-/m1/s1
SMILES C=CCC1=C[C@]2(OC)C(=O)[C@@H]([C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
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OrganismIsodon japonica
ReferenceXu, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 21, (1996), 678