input word = C00022569

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-2alpha,4beta-dihydroxy-15,16-epoxy-cis-clerodane-1(10),13(16),14-trien-20,12-olide
Formula C25H32O7
Mw 444.21480338
CAS RN 129349-90-2
C_ID C00022569 ,
InChIKey NQANRPPWFHFUBN-OTXRDCPJNA-N
InChICode InChI=1S/C25H32O7/c1-6-14(2)21(27)32-20-17(26)11-19-23(4,24(20,5)29)9-7-15(3)25(19)12-18(31-22(25)28)16-8-10-30-13-16/h6,8,10-11,13,15,17-18,20,26,29H,7,9,12H2,1-5H3/b14-6-/t15-,17-,18-,20-,23+,24+,25-/m1/s1
SMILES C/C=C(/C)C(=O)O[C@@H]1[C@H](O)C=C2[C@@]3(C[C@@H](c4ccoc4)OC3=O)[C@H](C)CC[C@]2(C)[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia eenii Ref.
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