input word = C00019942

Metabolite InformationStructural formula
Name Khelmarin C
Formula C38H40O8
Mw 624.27231825
CAS RN 158443-93-7
C_ID C00019942 ,
InChIKey WHUBSMIUXWASLV-UHFFFAOYNA-N
InChICode InChI=1S/C38H40O8/c1-11-35(3,4)23-19-22-29(21-17-18-37(7,8)46-31(21)27(36(5,6)12-2)30(22)44-34(23)41)43-32-26-24(45-38(9,10)33(32)40)15-13-20-14-16-25(39)42-28(20)26/h11-19,32-33,40H,1-2H2,3-10H3/t32-,33-/m1/s1
SMILES C=CC(C)(C)c1cc2c(OC3c4c(ccc5ccc(=O)oc45)OC(C)(C)C3O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C=C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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