input word = C00012917

Metabolite InformationStructural formula
Name [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-Decahydro-4a-hydroperoxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
5alpha-Hydroperoxy-4(15),11(13)-eudesmadien-12,8beta-olide
Formula C15H20O4
Mw 264.13615913
CAS RN 89900-44-7
C_ID C00012917 ,
InChIKey QPXUPGOUAFWPOB-FDWLVHDVNA-N
InChICode InChI=1S/C15H20O4/c1-9-5-4-6-14(3)8-12-11(7-15(9,14)19-17)10(2)13(16)18-12/h11-12,17H,1-2,4-8H2,3H3/t11-,12-,14-,15-/m1/s1
SMILES C1(=C)[C@]2([C@](CCC1)(C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea szyszylowiczii Ref.
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