input word = C00003487

Metabolite InformationStructural formula
Name Synaptolepis factor K1
Formula C36H54O8
Mw 614.3818687
CAS RN 66268-94-8
C_ID C00003487 ,
InChIKey WMCDWPXXDIUVBI-LMEGCYPUNA-N
InChICode InChI=1S/C36H54O8/c1-22(2)32-20-23(3)36-26-29(32)42-34(43-32,44-36)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-25-24(4)28(38)35(40,27(25)36)31(39)33(21-37)30(26)41-33/h17,19,23-27,29-31,37,39-40H,1,5-16,18,20-21H2,2-4H3/b19-17-/t23-,24+,25+,26-,27-,29-,30+,31-,32-,33+,34?,35-,36-/m1/s1
SMILES [C@@H]12[C@@]3([C@@H]([C@@]4([C@H]([C@@H]5[C@@]61[C@@H](C[C@]1([C@@H]5O[C@@](O1)(O6)/C=C\CCCCCCCCCCCCC[C@H]2[C@@H](C3=O)C)C(=C)C)C)O4)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeSynaptolepis spp. Ref.
--family Thymelaeaceae spp. Ref.
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OrganismSynaptolepis spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52