input word = C00019931

Metabolite InformationStructural formula
Name (R)-6-O-(4-Geranyloxy-2-hydroxy)-cinnamoylmarmin
Formula C38H46O8
Mw 630.31926845
CAS RN 142628-36-2
C_ID C00019931 ,
InChIKey GHUBHRMKAZWBIH-CCWRYTAYNA-N
InChICode InChI=1S/C38H46O8/c1-26(2)8-7-9-27(3)20-22-43-31-15-11-29(33(39)24-31)13-18-37(41)46-35(38(5,6)42)17-10-28(4)21-23-44-32-16-12-30-14-19-36(40)45-34(30)25-32/h8,11-16,18-21,24-25,35,39,42H,7,9-10,17,22-23H2,1-6H3/b18-13+,27-20+,28-21+/t35-/m1/s1
SMILES c1c(cc2c(c1)ccc(=O)o2)OC/C=C(\C)/CC[C@H](C(C)(C)O)OC(=O)/C=C/c1c(cc(cc1)OC/C=C(\C)/CCC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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