input word = C00003722

Metabolite InformationStructural formula
Name Nomilin
Formula C28H34O9
Mw 514.22028269
CAS RN 1063-77-0
C_ID C00003722 ,
InChIKey KPDOJFFZKAUIOE-QLXPXFJMNA-N
InChICode InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1
SMILES C1[C@H]2[C@@]([C@]34[C@@](C1)([C@@H](OC(=O)[C@H]3O4)c1cocc1)C)(C)C(=O)C[C@@H]1[C@@]2([C@H](CC(=O)OC1(C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus erythrosa Ref.
PlantaeRutaceaeCitrus paradisi L. Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus tamurana Hort. Ref.
PlantaeRutaceaeCitrus tangemna Ref.
PlantaeRutaceaeCitrus unshiu Markovich Ref.
--Azadiractica indica Ref.
--Ciyrus junos Ref.
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