input word = C00033395

Metabolite InformationStructural formula
Name Sudachinoid C
Formula C26H30O9
Mw 486.18898256
CAS RN 73793-69-8
C_ID C00033395 ,
InChIKey LUSHRJRLUBDDTB-MUUIPRAHNA-N
InChICode InChI=1S/C26H30O9/c1-22(2)14-11-15(27)25(5)13(23(14,3)8-7-16(28)34-22)6-9-24(4)18(12-10-17(29)32-20(12)30)33-21(31)19-26(24,25)35-19/h7-8,10,13-14,17-19,29H,6,9,11H2,1-5H3/t13-,14+,17-,18+,19-,23-,24+,25+,26-/m1/s1
SMILES C1(=O)O[C@H]([C@]2([C@]3([C@@H]1O3)[C@]1([C@H](CC2)[C@@]2([C@@H](CC1=O)C(OC(=O)C=C2)(C)C)C)C)C)C1=C[C@@H](OC1=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCitrus sudachii Ref.
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