input word = C00040178

Metabolite InformationStructural formula
Name Rubriflorin C
Formula C31H38O9
Mw 554.25158281
CAS RN 943515-63-7
C_ID C00040178 ,
InChIKey RBSLMMGBSAUALR-CWCSLDHHNA-N
InChICode InChI=1S/C31H38O9/c1-7-36-20(32)12-19-16-13-30-11-10-29(6)24-21(14(2)25(29)33)23-22(15(3)27(35)37-23)39-31(24,40-30)26(34)18(30)9-8-17(16)28(4,5)38-19/h9,14-15,19,21-24H,7-8,10-13H2,1-6H3/t14-,15-,19-,21+,22+,23+,24-,29-,30-,31-/m0/s1
SMILES C12=CCC3=C(C[C@]41CC[C@]1([C@H]5[C@](C2=O)(O[C@H]2[C@@H]([C@H]5[C@@H](C1=O)C)OC(=O)[C@H]2C)O4)C)[C@@H](OC3(C)C)CC(=O)OCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra rubriflora Ref.
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