input word = C00061166

Metabolite InformationStructural formula
Name Alisol C monoacetate
Formula C32H48O6
Mw 528.34508926
CAS RN 26575-93-9
C_ID C00061166
InChIKey KOOCQNIPRJEMDH-QSKXMHMESA-N
InChICode InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1
SMILES CC(=O)OC(CC(C)C1=C2CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O)C1OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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OrganismPhellodendron amurense
Referencehttps://doi.org/10.1002/jssc.201300794