input word = C00050993

Metabolite InformationStructural formula
Name Isorottlerin
Formula C30H28O8
Mw 516.17841787
CAS RN 521-91-5
C_ID C00050993
InChIKey AKTBFFHJRRKAMX-UHFFFAOYNA-N
InChICode InChI=1S/C30H28O8/c1-14-24(33)18(27(36)22(15(2)31)25(14)34)12-19-28-17(10-11-30(3,4)38-28)26(35)23-20(32)13-21(37-29(19)23)16-8-6-5-7-9-16/h5-11,21,33-36H,12-13H2,1-4H3
SMILES CC(=O)c1c(O)c(C)c(O)c(Cc2c3c(c(O)c4c2OC(c2ccccc2)CC4=O)C=CC(C)(C)O3)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMallotus philippinensis Ref.
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OrganismMallotus philippinensis
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979)