input word = C00031951

Metabolite InformationStructural formula
Name Kadsuric acid
Formula C30H46O4
Mw 470.33960996
CAS RN 62393-88-8
C_ID C00031951 ,
InChIKey JGNPDWQZTUZFHK-JUNNUSKHNA-N
InChICode InChI=1S/C30H46O4/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/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22+,23-,25-,28+,29-,30+/m1/s1
SMILES [C@]12([C@](CC=C3[C@H]1CC[C@H]([C@@]3(CCC(=O)O)C)C(=C)C)([C@H](CC2)[C@@H](CC/C=C(/C)\C(=O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura coccinea Ref.
PlantaeSchisandraceaeKadsura japonica Ref.
PlantaeSchisandraceaeSchisandra henryi Ref.
PlantaeSchisandraceaeSchisandra micrantha Ref.
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OrganismKadsura coccinea
ReferenceLi,J.Nat.Prod.,71,(2008),739