input word = C00054285

Metabolite InformationStructural formula
Name Caffeoylcycloartenol
Formula C39H56O4
Mw 588.41786028
CAS RN 75884-34-3
C_ID C00054285
InChIKey QKNCKSQAXGWPIK-YFRHIOQFSA-N
InChICode InChI=1S/C39H56O4/c1-25(2)9-8-10-26(3)28-17-19-37(7)32-15-14-31-35(4,5)33(18-20-38(31)24-39(32,38)22-21-36(28,37)6)43-34(42)16-12-27-11-13-29(40)30(41)23-27/h9,11-13,16,23,26,28,31-33,40-41H,8,10,14-15,17-22,24H2,1-7H3/b16-12+/t26-,28-,31+,32+,33+,36-,37+,38-,39+/m1/s1
SMILES OC1=C(O)C=CC(/C=C/C(O[C@@H]2C(C)(C)[C@@](CC[C@]3([H])[C@@]45CC[C@@]6(C)[C@@]3(C)CC[C@]6([H])[C@H](C)CC/C=C(C)/C)([H])[C@]4(C5)CC2)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaePhalaris canariensis Ref.
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