input word = C00055512

Metabolite InformationStructural formula
Name Armillarivin
Formula C23H28O5
Mw 384.193674
CAS RN 135247-97-1
C_ID C00055512
InChIKey SJZRUQOYQZRISL-ZGCCROSNSA-N
InChICode InChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3/t13-,16+,18-,22-,23+/m0/s1
SMILES OC1=CC(C)=C(C(O[C@H]2C[C@]3(C)[C@@]2(O)C(C=O)=C[C@]4([H])[C@@]3([H])CC(C)(C)C4)=O)C(O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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OrganismArmillaria mellea
ReferenceYang, J.S. et al., Yaoxue Xuebao, 1991, 26, 117 (isol, pmr, cmr)