input word = C00048535

Metabolite InformationStructural formula
Name Sicanatriol 7beta,18-diacetate
Formula C24H36O5
Mw 404.25627426
CAS RN 1177426-13-9
C_ID C00048535 ,
InChIKey JUJCSASCNCKTOP-XLDMDBNSNA-N
InChICode InChI=1S/C24H36O5/c1-15(25)28-14-21(3)9-6-10-22(4)18-8-7-17-12-24(18,13-23(17,5)27)20(11-19(21)22)29-16(2)26/h7-8,17-20,27H,6,9-14H2,1-5H3/t17-,18+,19-,20+,21-,22+,23-,24-/m1/s1
SMILES CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](C=C[C@@H]21)[C@](C)(O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis argosphacelus var. spicata Ref.
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