input word = C00047636

Metabolite InformationStructural formula
Name 12beta,16alpha,20-Trihydroxy-17-scalaren-19,20-olide
Formula C25H38O5
Mw 418.27192432
CAS RN 1189110-37-9
C_ID C00047636 ,
InChIKey XOOYWQIVYHRNAO-MNAXPAQZNA-N
InChICode InChI=1S/C25H38O5/c1-22(2)8-6-9-23(3)14(22)7-10-24(4)15(23)12-17(27)25(5)16(24)11-13(26)18-19(25)21(29)30-20(18)28/h13-17,20,26-28H,6-12H2,1-5H3/t13-,14+,15-,16+,17-,20-,23+,24-,25-/m1/s1
SMILES CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)C5=C(C(O)OC5=O)[C@H](O)C[C@H]4[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios gumminae Ref.
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