input word = C00051042

Metabolite InformationStructural formula
Name Jiuhuanin A
Formula C24H34O8
Mw 450.22536806
CAS RN 103537-99-1
C_ID C00051042
InChIKey GGKYFSLQJLUHGF-XEVHAKRSNA-N
InChICode InChI=1S/C24H34O8/c1-12(25)31-17-14-6-7-15-21-9-5-8-20(3,4)16(21)18(32-13(2)26)24(28,30-10-21)23(15,17)19(27)22(14)11-29-22/h14-19,27-28H,5-11H2,1-4H3/t14-,15+,16?,17-,18?,19-,21-,22+,23?,24-/m1/s1
SMILES CC(=O)OC1[C@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@@]13[C@H](O)[C@]21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon macrocalyx var.jiuhua Ref.
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OrganismIsodon macrocalyx var.jiuhua
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)