input word = C00063029

Metabolite InformationStructural formula
Name Triptonolide
Formula C20H22O4
Mw 326.15180919
CAS RN 79548-61-1
C_ID C00063029
InChIKey MHZZHUMKOAYLPH-QRWLVFNGSA-N
InChICode InChI=1S/C20H22O4/c1-10(2)11-4-5-14-17(18(11)22)16(21)8-15-13-9-24-19(23)12(13)6-7-20(14,15)3/h4-5,10,15,22H,6-9H2,1-3H3/t15-,20+/m1/s1;InChI=1S/C20H22O4/c1-10(2)11-4-5-14-17(18(11)22)16(21)8-15-13-9-24-19(23)12(13)6-7-20(14,15)3/h4-5,10,15,22H,6-9H2,1-3H3/t15-,20+/m0/s1;InChI=1S/C20H22O4/c1-10(2)11-4-5-14-17(18(11)22)16(21)8-15-13-9-24-19(23)12(13)6-7-20(14,15)3/h4-5,10,15,22H,6-9H2,1-3H3/t15?,20-/m1/s1
SMILES CC(C)c1ccc2c(c1O)C(=O)CC1C3=C(CCC21C)C(=O)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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