input word = C00012996

Metabolite InformationStructural formula
Name Rothin B
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-Decahydro-4,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
Formula C15H20O4
Mw 264.13615913
CAS RN 33530-73-3
C_ID C00012996 ,
InChIKey CMVJNYSIDKGGLC-SGKHADPSNA-N
InChICode InChI=1S/C15H20O4/c1-8-5-4-6-14(3)7-10(16)11-9(2)13(17)19-12(11)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3/t10-,11+,12-,14+,15-/m0/s1
SMILES C1[C@]2([C@](C(=C)CC1)([C@@H]1[C@@H]([C@H](C2)O)C(=C)C(=O)O1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia rothrockii Ref.
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