input word = C00039996

Metabolite InformationStructural formula
Name Phyllostachysin A
Formula C20H26O6
Mw 362.17293856
CAS RN 86794-74-3
C_ID C00039996 ,
InChIKey YCJQKTJYPZVQBL-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)15(24)20(26,16(18)25)19(11,13(8)22)14(9)23/h9-12,14,16,21,23,25-26H,1,4-7H2,2-3H3/t9-,10+,11-,12-,14-,16-,18-,19-,20-/m1/s1
SMILES [C@@H]1([C@@]23[C@@]4([C@@H]([C@@]5([C@@H](C(CCC5)(C)C)C4=O)[C@H]2[C@H](C[C@@H]1C(=C)C3=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon phyllostachys Ref.
PlantaeLabiataeIsodon xerophilus Ref.
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OrganismIsodon phyllostachys
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)