input word = C00047118

Metabolite InformationStructural formula
Name Uncarinic acid C
Formula C40H56O7
Mw 648.40260414
CAS RN 277751-59-4
C_ID C00047118 ,
InChIKey BRRFDRKIGYRDOD-YXIWXZFTNA-N
InChICode InChI=1S/C40H56O7/c1-24-14-19-39(35(44)45)20-21-40(23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7)27(34(39)25(24)2)10-12-31-37(5)17-16-32(42)36(3,4)30(37)15-18-38(31,40)6/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25+,30+,31-,32+,34+,37+,38-,39+,40+/m1/s1
SMILES [C@H]1(CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@]([C@@]1(CC2)COC(=O)/C=C/c1ccc(c(c1)OC)O)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O)C)C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeUncaria rhynchophylla Ref.
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