input word = C00037509

Metabolite InformationStructural formula
Name Monacanthin B
Formula C34H28O21
Mw 772.11230796
CAS RN 382137-55-5
C_ID C00037509 ,
InChIKey KJOQABFTIZQRDY-NLFQOXHXNA-N
InChICode InChI=1S/C34H28O21/c35-15-2-1-11(3-16(15)36)31(48)55-34-29(54-33(50)14-8-21(41)26(45)22(42)9-14)28(53-32(49)13-6-19(39)25(44)20(40)7-13)27(46)23(52-34)10-51-30(47)12-4-17(37)24(43)18(38)5-12/h1-9,23,27-29,34-46H,10H2/t23-,27-,28+,29-,34+/m1/s1
SMILES O=C(OC[C@H]1O[C@@H](OC(=O)c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeCornulaca monacantha Ref.
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