input word = C00040183

Metabolite InformationStructural formula
Name Salasol A
Formula C28H36O10
Mw 532.23084737
CAS RN 612836-46-1
C_ID C00040183 ,
InChIKey PBYYDTQGTBZJGB-UHFFFAOYNA-N
InChICode InChI=1S/C28H36O10/c1-15-12-21(32)24(36-18(4)31)27(14-34-16(2)29)22(37-25(33)19-10-8-7-9-11-19)13-20-23(35-17(3)30)28(15,27)38-26(20,5)6/h7-11,15,20-24,32H,12-14H2,1-6H3/t15-,20+,21+,22+,23-,24+,27+,28+/m0/s1
SMILES CC(=O)OCC12C(OC(=O)c3ccccc3)CC3C(OC(C)=O)C1(OC3(C)C)C(C)CC(O)C2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMicrotropis japonica Ref.
PlantaeCelastraceaeSalacia chinensis Ref.
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