input word = C00019887

Metabolite InformationStructural formula
Name Hassmarin
Formula C28H24O7
Mw 472.15220312
CAS RN 152551-90-1
C_ID C00019887 ,
InChIKey XGNSVHRNEPBIRB-UHFFFAOYNA-N
InChICode InChI=1S/C28H24O7/c1-14-11-12-28(2)17(13-14)22-19(8-4-16-6-10-20(30)34-25(16)22)33-27(28)24(32)23-18(29)7-3-15-5-9-21(31)35-26(15)23/h3-10,13,17,24,27,29,32H,11-12H2,1-2H3/t17-,24+,27-,28+/m1/s1
SMILES CC1=CC2c3c(ccc4ccc(=O)oc34)OC(C(O)c3c(O)ccc4ccc(=O)oc34)C2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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