input word = C00051538

Metabolite InformationStructural formula
Name Merresectine D beta-D-glucoside
Formula C27H39NO9
Mw 521.26248185
CAS RN 862433-22-5
C_ID C00051538
InChIKey HAWPTRHHUNNNJJ-KZJVHNDUNA-N
InChICode InChI=1S/C27H39NO9/c1-14(2)5-6-15-9-16(26(33)35-19-11-17-7-8-18(12-19)28(17)3)10-20(34-4)25(15)37-27-24(32)23(31)22(30)21(13-29)36-27/h5,9-10,17-19,21-24,27,29-32H,6-8,11-13H2,1-4H3/t17-,18+,19+,21-,22-,23+,24-,27+/m1/s1
SMILES COc1cc(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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