input word = C00058419

Metabolite InformationStructural formula
Name Clemastanin B
Formula C32H44O16
Mw 684.26293536
CAS RN 112747-98-5
C_ID C00058419
InChIKey PBLWZMSRSJTRHJ-NCIRKIHRSA-N
InChICode InChI=1S/C32H44O16/c1-42-20-8-14(3-5-18(20)45-31-28(40)26(38)24(36)22(11-34)47-31)7-16-13-44-30(17(16)10-33)15-4-6-19(21(9-15)43-2)46-32-29(41)27(39)25(37)23(12-35)48-32/h3-6,8-9,16-17,22-41H,7,10-13H2,1-2H3/t16-,17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+/m0/s1
SMILES COc1cc(C[C@H]2CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]2CO)ccc1O[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
PlantaeCrassulaceaeSedum sarmentosum Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeRanunculaceaeClematis stans Ref.
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