input word = C00035423

Metabolite InformationStructural formula
Name Velutine A
Formula C20H8O6
Mw 344.03208799
CAS RN 175861-92-4
C_ID C00035423 ,
InChIKey NHOLPDNRVILGOF-VIDHRWFONA-N
InChICode InChI=1S/C20H28O6/c1-11-8-12-15-17(2,5-4-13(21)18(15,3)16(23)25-12)20(11)7-6-19(26-20)9-14(22)24-10-19/h11-12,14-15,22H,4-10H2,1-3H3/t11-,12-,14-,15-,17+,18+,19-,20-/m1/s1
SMILES C1(=O)CC[C@]2([C@@H]3[C@]1(C(=O)O[C@@H]3C[C@H]([C@@]12CC[C@]2(O1)CO[C@H](C2)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium velutinum Ref.
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OrganismMarrubium velutinum
ReferenceKarioti,Phytochem.,66,(2005),1060