input word = C00030826

Metabolite InformationStructural formula
Name Nitensoside B
Formula C28H32O16
Mw 624.16903498
CAS RN 1037306-22-1
C_ID C00030826 ,
InChIKey MTUPEWBIUKFRBD-FLGAVMNKNA-N
InChICode InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-17-20(33)23(36)25(38)28(43-17)44-26-16(39-2)7-15-18(21(26)34)13(31)6-14(42-15)10-3-4-11(29)12(30)5-10/h3-7,9,17,19-20,22-25,27-30,32-38H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24+,25+,27+,28-/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterogyne nitens Ref.
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