input word = C00056623

Metabolite InformationStructural formula
Name Flacoside B
Formula C32H44O15
Mw 668.26802074
CAS RN 1204224-35-0
C_ID C00056623
InChIKey REKLXWGYBQGODR-UMQMGUGESA-N
InChICode InChI=1S/C32H44O15/c1-13-25(36)27(38)29(40)31(46-13)45-12-23-26(37)28(39)30(41)32(47-23)44-11-16-6-15-8-22(43-3)20(35)9-17(15)24(18(16)10-33)14-4-5-19(34)21(7-14)42-2/h4-5,7-9,13,16,18,23-41H,6,10-12H2,1-3H3/t13-,16+,18+,23+,24+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1
SMILES OC1=C(OC)C=C([C@@H]2C(C=C(O)C(OC)=C3)=C3C[C@H](CO[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2CO)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeFlacourtia ramontchi Ref.
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