input word = C00056270

Metabolite InformationStructural formula
Name Ulmoidol
Formula C29H42O5
Mw 470.30322445
CAS RN 196093-13-7
C_ID C00056270
InChIKey CGDNMHCUSPXQHB-ASWZSIAWSA-N
InChICode InChI=1S/C29H42O5/c1-14-7-10-28-12-11-27(6)26(5)9-8-17-16(3)19(31)18(30)13-25(17,4)22(26)20-23(33-20)29(27,34-24(28)32)21(28)15(14)2/h14-15,17-23,30-31H,3,7-13H2,1-2,4-6H3/t14-,15+,17+,18-,19-,20+,21-,22-,23+,25+,26-,27+,28+,29-/m1/s1
SMILES C[C@@H]1CC[C@]2(C(O[C@]3([C@]2([H])[C@H]1C)[C@](O4)([H])[C@]4([H])[C@]5([H])[C@@]6(C)C[C@@H](O)[C@@H]7O)=O)CC[C@@]3(C)[C@]5(C)CC[C@@]6([H])C7=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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