input word = C00049711

Metabolite InformationStructural formula
Name Brasiliquinone D
(+)-Brasiliquinone D
Formula C28H29NO8
Mw 507.18931691
CAS RN 25623-64-7
C_ID C00049711 ,
InChIKey IVLQWYIHDNEUEU-PQFFBLPMNA-N
InChICode InChI=1S/C28H29NO8/c1-4-14-8-15-10-19(32)24-25(22(15)18(31)9-14)27(34)16-6-5-7-20(23(16)28(24)35)37-21-11-17(29-13(3)30)26(33)12(2)36-21/h5-7,10,12,14,17,21,26,32-33H,4,8-9,11H2,1-3H3,(H,29,30)/t12-,14+,17-,21-,26+/m1/s1
SMILES c12c(C(=O)c3c(C1=O)c1c(cc3O)C[C@@H](CC1=O)CC)c(ccc2)O[C@@H]1C[C@H]([C@H]([C@H](O1)C)O)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia brasiliensis IFM0667 Ref.
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