input word = C00029118

Metabolite InformationStructural formula
Name Thiomarinol B
Thiomarinol B2
Formula C30H44N2O11S2
Mw 672.23865172
CAS RN 156098-43-0
C_ID C00029118 ,
InChIKey DVQBKROGZULVGL-FFOWXBQBNA-N
InChICode InChI=1S/C30H44N2O11S2/c1-17(19(3)33)10-9-11-20-15-43-28(27(38)26(20)37)25(36)18(2)14-23(35)42-13-8-6-4-5-7-12-22(34)32-24-29-21(31-30(24)39)16-45(40,41)44-29/h9-10,14,16-17,19-20,25-28,33,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,19+,20+,25-,26-,27-,28+/m1/s1
SMILES C1=C2C(=C(C(=O)N2)NC(=O)CCCCCCCOC(=O)/C=C(\C)/[C@H]([C@@H]2OC[C@@H]([C@H]([C@H]2O)O)C/C=C/[C@H]([C@H](C)O)C)O)SS1(=O)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaAlteromonadaceaeAlteromonas rava Ref.
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