input word = C00003430

Metabolite InformationStructural formula
Name Gnidicin
Formula C36H36O10
Mw 628.23084737
CAS RN 55319-39-6
C_ID C00003430 ,
InChIKey OTTFLYUONKAFGT-QHJOXBGHNA-N
InChICode InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35+,36-/m1/s1
SMILES [C@@H]12[C@]([C@@H]([C@@]3([C@H]([C@@H]4[C@@]51[C@@H]([C@H]([C@]1([C@@H]4O[C@](O1)(O5)c1ccccc1)C(=C)C)OC(=O)/C=C/c1ccccc1)C)O3)CO)O)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeGnidia lamprantha Ref.
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