input word = C00046395

Metabolite InformationStructural formula
Name Scuterulein D
Formula C26H36O8
Mw 476.24101813
CAS RN 353288-07-0
C_ID C00046395 ,
InChIKey CZVDOSTXFXGDEB-JODLTVSVNA-N
InChICode InChI=1S/C26H36O8/c1-7-8-19(29)34-23-22(33-16(3)27)25(5)15(2)9-10-18(28)21(25)24(4,26(23,6)31)12-11-17-13-20(30)32-14-17/h11-13,18,21-23,28,31H,2,7-10,14H2,1,3-6H3/b12-11+/t18-,21-,22+,23+,24+,25+,26+/m1/s1
SMILES C=C1CC[C@@H](O)[C@H]2[C@@]1(C)[C@@H](OC(C)=O)[C@H](OC(=O)CCC)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria caerulea Ref.
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