input word = C00021458

Metabolite InformationStructural formula
Name Armillane
Formula C23H32O7
Mw 420.21480338
CAS RN 126006-69-7
C_ID C00021458 ,
InChIKey JUUSWGGXNLLISZ-XPXAIIPVNA-N
InChICode InChI=1S/C23H32O7/c1-11-5-12(25)6-16(26)18(11)20(28)30-17-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(17,22)29/h5-6,13-15,17,19,24-27,29H,7-10H2,1-4H3/t13-,14+,15-,17-,19-,22-,23+/m1/s1
SMILES [C@@H]1([C@]2([C@@]([C@@H]3[C@H]([C@H]1O)CC(C3)(C)C)(C[C@H]2OC(=O)c1c(cc(cc1O)O)C)C)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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OrganismArmillaria mellea
ReferenceDonnelly,Phytochem.,29,(1990),179