input word = C00055509

Metabolite InformationStructural formula
Name Armillatin
Formula C38H58O6
Mw 610.42333958
CAS RN 139051-17-5
C_ID C00055509
InChIKey SFZLJVNEGHGCDQ-JMUGSSTBSA-N
InChICode InChI=1S/C38H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(41)44-38-21-20-28-24-36(3,4)25-30(28)37(38,5)26-32(38)43-35(42)34-27(2)22-29(39)23-31(34)40/h20-23,28,30,32,39-40H,6-19,24-26H2,1-5H3/t28-,30+,32-,37-,38+/m1/s1
SMILES OC1=CC(C)=C(C(O[C@@H]2C[C@@]3(C)[C@]2(OC(CCCCCCCCCCCCCCC)=O)C=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., Planta Med., 1991, 57, 478 (isol, pmr, cmr)