input word = C00021649

Metabolite InformationStructural formula
Name Biscineradienone
Formula C30H40O2
Mw 432.30283052
CAS RN
C_ID C00021649 ,
InChIKey QPLGXXNSCABWOF-UHFFFAOYNA-N
InChICode InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1
SMILES C1CC[C@@]2([C@@H]1C)C(=O)[C@H]1C(=C(CC[C@@]1(C1=CC(=O)[C@]3(C(=C1)C)[C@@H](CCC3)C)C)C)C=C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCineraria fruticulorum Ref.
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OrganismCineraria fruticulorum
ReferenceBohlmann,Phytochem.,21,(1982),2531