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 COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterogyne nitens Ref.
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