input word = C00014526

Metabolite InformationStructural formula
Name Isolophirone C
Formula C30H22O8
Mw 510.13146768
CAS RN 352320-05-9
C_ID C00014526 ,
InChIKey MQFIBQJBACGUTF-UHFFFAOYSA-N
InChICode InChI=1S/C30H22O8/c31-18-5-3-17(4-6-18)30-28(29(37)22-10-8-20(33)15-26(22)36)23-13-16(2-12-27(23)38-30)1-11-24(34)21-9-7-19(32)14-25(21)35/h2-10,12-15,31-33,35-36H,1,11H2
SMILES c1(cc(c(cc1)C(=O)CCc1cc2c(cc1)oc(c2C(=O)c1c(cc(cc1)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOchnaceaeOchna afzelii Ref.
--Ochina afzelii Ref.
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