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 pharicus
ReferenceZhao,J.Nat.Prod.,72,(2009),988