input word = C00060549

Metabolite InformationStructural formula
Name (3S,4aR,5S,6S,11R,12R,12aR)-1,2,3,4,4a,5,6,7,8,11,12,12a-Dodecahydro-5,6,11,12-tetrahydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl (2E)-3-phenyl-2-propenoate
Formula C29H36O7
Mw 496.2461035
CAS RN 185942-07-8
C_ID C00060549
InChIKey LMHMWINKBZRNRU-PDBYPBKASA-N
InChICode InChI=1S/C29H36O7/c1-16-19(30)15-29(35)25(33)23-17(2)20(36-21(31)12-11-18-9-7-6-8-10-18)13-14-28(23,5)26(34)24(32)22(16)27(29,3)4/h6-12,20,23-26,32-35H,2,13-15H2,1,3-5H3/b12-11+/t20-,23-,24+,25-,26-,28+,29+/m0/s1
SMILES C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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