input word = C00057270

Metabolite InformationStructural formula
Name Neocycasin C
Formula C26H46N2O22
Mw 738.25422117
CAS RN 2288-31-5
C_ID C00057270
InChIKey DJXXJSHMPIGZTI-GTWVMOONSA-N
InChICode InChI=1S/C26H46N2O22/c1-28(42)27-6-43-23-17(39)20(12(34)8(3-30)44-23)49-25-19(41)22(14(36)10(5-32)46-25)50-26-18(40)21(13(35)9(4-31)47-26)48-24-16(38)15(37)11(33)7(2-29)45-24/h7-26,29-41H,2-6H2,1H3/b28-27-/t7-,8-,9-,10-,11-,12-,13-,14-,15+,16-,17-,18-,19-,20+,21+,22+,23-,24+,25+,26+/m1/s1
SMILES C/N(=N/CO[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO)[C@H](O)[C@H](O3)CO)[C@H](O)[C@H](O2)CO)[C@H](O)[C@H](O1)CO)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCycadaceaeCycas revoluta Ref.
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