input word = C00039084

Metabolite InformationStructural formula
Name Effusanin C
Formula C22H30O7
Mw 406.19915331
CAS RN 76479-80-6
C_ID C00039084 ,
InChIKey UDOQTYDWKGQXFY-KRWJFYKQNA-N
InChICode InChI=1S/C22H30O7/c1-11-13-4-5-14-20-10-29-22(27,21(14,8-13)17(11)25)18(26)16(20)19(3,7-6-15(20)24)9-28-12(2)23/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13-,14+,15+,16-,18+,19+,20-,21+,22-/m1/s1
SMILES C1C[C@]([C@@H]2[C@@]3([C@H]1O)[C@H]1[C@]4([C@]([C@H]2O)(O)OC3)C(=O)C(=C)[C@H](CC1)C4)(COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonicus Ref.
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