input word = C00047169

Metabolite InformationStructural formula
Name Amaranzole A
Formula C36H52N2O13S3
Mw 816.26315195
CAS RN 1000587-87-0
C_ID C00047169 ,
InChIKey RBOJSUADYKRPSB-SMEPDMJXNA-N
InChICode InChI=1S/C36H52N2O13S3/c1-21(2)30(38-20-37-19-31(38)23-7-9-24(39)10-8-23)13-6-22(3)26-11-12-27-25-16-32(49-52(40,41)42)29-17-33(50-53(43,44)45)34(51-54(46,47)48)18-36(29,5)28(25)14-15-35(26,27)4/h7-10,19-20,22,25-30,32-34,39H,1,6,11-18H2,2-5H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)/t22-,25+,26-,27+,28+,29-,30-,32+,33-,34+,35-,36-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@H](C)CC[C@@H](n1c(cnc1)c1ccc(cc1)O)C(=C)C)C)C[C@@H]([C@@H]1[C@@]2(C[C@@H]([C@@H](C1)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) GGPP L-Asp
Organism
Kingdom Family Species Reference
--Phorbas amaranthus Ref.
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