input word = C00045040

Metabolite InformationStructural formula
Name Reissantin C
Formula C34H37NO13
Mw 667.22649028
CAS RN 628290-37-9
C_ID C00045040 ,
InChIKey JRHJSZMJYORLNR-UHFFFAOYNA-N
InChICode InChI=1S/C34H37NO13/c1-18(36)44-26-24-25(46-28(38)19-7-8-23(37)35(6)15-19)27(47-30(40)21-11-14-43-17-21)33(5)22(45-29(39)20-10-13-42-16-20)9-12-32(4,41)34(26,33)48-31(24,2)3/h7-8,10-11,13-17,22,24-27,41H,9,12H2,1-6H3/t22-,24+,25-,26-,27+,32+,33-,34-/m0/s1
SMILES c1(=O)n(cc(cc1)C(=O)O[C@@H]1[C@H]([C@]2([C@]3([C@@H](OC(=O)C)[C@@H]1C(O3)(C)C)[C@@](CC[C@@H]2OC(=O)c1ccoc1)(O)C)C)OC(=O)c1ccoc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeReissantia buchananii Ref.
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