input word = C00039995

Metabolite InformationStructural formula
Name Phyllospinarone
Formula C22H30O4
Mw 358.21440945
CAS RN 1013025-95-0
C_ID C00039995 ,
InChIKey NCQRNRZCIOFQIE-PUCKMGFMNA-N
InChICode InChI=1S/C22H30O4/c1-20(2)7-4-8-21(3)15-10-16-17(24)9-14(12-23)19(25)22(16,26)11-13(15)5-6-18(20)21/h9,18,23-24,26H,4-8,10-12H2,1-3H3/t18-,21+,22-/m0/s1
SMILES CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)CC1(O)C(=O)C(CO)=CC(O)=C1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaePhyllosticta spinarum Ref.
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