input word = C00003442

Metabolite InformationStructural formula
Name Isodomedin
Formula C22H32O6
Mw 392.21988875
CAS RN 39388-61-9
C_ID C00003442 ,
InChIKey DHKJGTMHEVCMKJ-ZMMSFQDFNA-N
InChICode InChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14+,15+,16+,17-,19+,21+,22-/m0/s1
SMILES C1[C@@H](C([C@@H]2[C@]([C@@H]1O)([C@H]1[C@@]3([C@@H](C2)O)[C@@H]([C@@H](CC1)C(=C)C3=O)O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon pharicus Ref.
PlantaeLabiataeIsodon shikokianus var. intermedius Ref.
PlantaeLabiataeIsodon shikokuana var.intermedius Ref.
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OrganismIsodon shikokuana var.intermedius
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)