input word = C00003626

Metabolite InformationStructural formula
Name Labriformidin
Formula C29H36O11
Mw 560.22576199
CAS RN 66419-08-7
C_ID C00003626 ,
InChIKey WSTYKMSHUMUSAY-PPQUVPCDNA-N
InChICode InChI=1S/C29H36O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7,12,14-17,19,21-22,24,32,34-35H,4-6,8-11H2,1-3H3/t12-,14-,15-,16-,17-,19+,21+,22-,24+,25+,26+,27-,28+,29+/m1/s1
SMILES C[C@@H]1CC(=O)[C@]2(O)O[C@@H]3C[C@@]4(C)[C@@H](C[C@@H]5O[C@]56[C@@H]4[C@H](O)C(=O)[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]64O)C[C@H]3O[C@@H]2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias eriocarpa Ref.
PlantaeApocynaceaeAsclepias labriformis Ref.
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OrganismAsclepias labriformis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter55