input word = C00045402

Metabolite InformationStructural formula
Name Scalarolide
Formula C25H38O3
Mw 386.28209508
CAS RN 75266-23-8
C_ID C00045402 ,
InChIKey FMYCKOLKWHMLJO-ANVIUNCSNA-N
InChICode InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)16(22)9-12-24(4)17-8-7-15-14-28-21(27)20(15)25(17,5)19(26)13-18(23)24/h16-19,26H,6-14H2,1-5H3/t16-,17-,18+,19+,23-,24-,25+/m0/s1
SMILES CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)C5=C(CC[C@H]4[C@]3(C)CC[C@@H]12)COC5=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios erecta Ref.
--Hyrtios erectus Ref.
--Hyrtios gumminae Ref.
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