input word = C00039546

Metabolite InformationStructural formula
Name Kadsuracoccinic acid A
(+)-Kadsuracoccinic acid A
Formula C30H44O4
Mw 468.32395989
CAS RN 1016260-22-2
C_ID C00039546 ,
InChIKey QOIBKZDJHBYYMX-YYIOZZJCNA-N
InChICode InChI=1S/C30H44O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,22,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-,23-20-/t22-,25+,28-,29+,30-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)/C(=C(/C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura coccinea Ref.
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