input word = C00022216

Metabolite InformationStructural formula
Name (ent-13E,14E)-15,16-Diacetoxy-7,13(16),14-labdatriene
Formula C24H36O4
Mw 388.26135964
CAS RN 88099-99-4
C_ID C00022216 ,
InChIKey BWZDTWFYMRBECR-YVLVNTBTNA-N
InChICode InChI=1S/C24H36O4/c1-17-8-11-22-23(4,5)13-7-14-24(22,6)21(17)10-9-20(16-28-19(3)26)12-15-27-18(2)25/h8,12,15-16,21-22H,7,9-11,13-14H2,1-6H3/b15-12+,20-16+/t21-,22-,24+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@@H](C(=CC2)C)CC/C(=C\OC(=O)C)/C=C/OC(=O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSchkuhria multiflora Ref.
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