input word = C00051536

Metabolite InformationStructural formula
Name Merresectine B
Formula C31H45NO8
Mw 559.31451742
CAS RN 219829-75-1
C_ID C00051536
InChIKey PTOHHQZBABICAF-RNKRSXJUNA-N
InChICode InChI=1S/C31H45NO8/c1-17(2)6-8-19-12-21(30(37)38-24-14-22-10-11-23(15-24)32(22)5)13-20(9-7-18(3)4)29(19)40-31-28(36)27(35)26(34)25(16-33)39-31/h6-7,12-13,22-28,31,33-36H,8-11,14-16H2,1-5H3/t22-,23+,24+,25-,26-,27+,28-,31+/m1/s1
SMILES CC(C)=CCc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3C)cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeMerremia dissecta Ref.
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