input word = C00043461

Metabolite InformationStructural formula
Name Dolastatin 19
(+)-Dolastatin 19
Formula C29H45BrO10
Mw 632.21961056
CAS RN 676557-79-2
C_ID C00043461 ,
InChIKey PEEGMFDJRIRCQO-OLUJXWSXNA-N
InChICode InChI=1S/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13+/t17-,18+,19-,20-,21+,22-,23-,24+,25-,26+,28+,29-/m0/s1
SMILES [C@H]1([C@H](C[C@]2([C@@H](C(=O)O[C@H](C/C(=C/[C@H](C[C@@H]1O2)OC)/C)/C=C/C=C/Br)C)O)O[C@H]1O[C@H]([C@@H]([C@H]([C@H]1OC)O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--AplysiidaeDolabella auricularia Ref.
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