input word = C00054921

Metabolite InformationStructural formula
Name Chlorogenone
Formula C27H40O4
Mw 428.29265977
CAS RN 3514-59-8
C_ID C00054921
InChIKey CGXQJOWMWZPOPV-JYAALUPGSA-N
InChICode InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27+/m1/s1
SMILES O=C1C[C@@](C(C[C@@]2([C@@]3(CC[C@@]4(C)[C@]2(C[C@]5([C@@]4([C@H](C)[C@@]6(OC[C@H](C)CC6)O5)[H])[H])[H])[H])[H])=O)([H])[C@]3(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum torvum Ref.
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