input word = C00042905

Metabolite InformationStructural formula
Name Renillin C
(-)-Renillin C
Formula C28H40O9
Mw 520.26723288
CAS RN 851320-00-8
C_ID C00042905 ,
InChIKey WUAAFCGTSYYMLQ-OQFTWCTONA-N
InChICode InChI=1S/C28H40O9/c1-8-9-23(31)36-21-12-10-15(2)14-22-28(33,17(4)26(32)37-22)25(35-19(6)30)24-16(3)11-13-20(27(21,24)7)34-18(5)29/h11,14,17,20-22,24-25,33H,8-10,12-13H2,1-7H3/b15-14-/t17-,20-,21-,22-,24+,25+,27+,28+/m0/s1
SMILES CCCC(=O)O[C@H]1CC/C(C)=C[C@@H]2OC(=O)[C@H](C)C2(O)[C@H](OC(C)=O)[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaRenillidaeRenilla reniformis Ref.
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