input word = C00012623

Metabolite InformationStructural formula
Name Sambucoin
[3aS-(3aalpha,5aalpha,9abeta,9balpha)]-1,3a,4,5a,8,9,9a,9b-Octahydro-3a-hydroxy-7,9a,9b-trimethycyclopenta[c][1]benzopyran-3(2H)-one
Formula C15H22O3
Mw 250.15689457
CAS RN 90044-34-1
C_ID C00012623 ,
InChIKey ALCGWQGTELZSPT-VFZAZOCVNA-N
InChICode InChI=1S/C15H22O3/c1-10-4-6-13(2)12(8-10)18-9-15(17)11(16)5-7-14(13,15)3/h8,12,17H,4-7,9H2,1-3H3/t12-,13-,14+,15-/m0/s1
SMILES C1=C(CC[C@]2([C@H]1OC[C@]1([C@@]2(CCC1=O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sambusinum Ref.
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