input word = C00051122

Metabolite InformationStructural formula
Name Kamebacetal B
Formula C21H30O5
Mw 362.20932407
CAS RN 73981-35-8
C_ID C00051122
InChIKey HZXIWBLGRBHNQF-PYZJDSPWNA-N
InChICode InChI=1S/C21H30O5/c1-10-11-5-6-12-20-13(19(2,3)8-7-14(20)22)9-15(26-18(20)25-4)21(12,16(10)23)17(11)24/h11-15,17-18,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15+,17?,18+,20+,21-/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2C12[C@H](OC)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon kameba Ref.
PlantaeLabiataeIsodon umbrosa var.latifolia Ref.
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OrganismIsodon umbrosa var.latifolia
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)