input word = C00039399

Metabolite InformationStructural formula
Name Iantheran A
Formula C32H18Br4O12S2
Mw 973.6973191
CAS RN 221621-90-5
C_ID C00039399 ,
InChIKey IXPUAYCGIVWSOM-GRJUOOOMSA-N
InChICode InChI=1S/C32H18Br4O12S2/c33-23-11-17(1-3-27(23)37)21-13-45-31-19(21)5-15(7-25(31)35)9-29(47-49(39,40)41)30(48-50(42,43)44)10-16-6-20-22(14-46-32(20)26(36)8-16)18-2-4-28(38)24(34)12-18/h1-14,37-38H,(H,39,40,41)(H,42,43,44)/b29-9-,30-10-
SMILES c1c(cc2c(c1Br)occ2c1cc(c(cc1)O)Br)/C=C(\OS(=O)(=O)O)/C(=C/c1cc(c2c(c1)c(co2)c1cc(c(cc1)O)Br)Br)/OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lanthella sp. Ref.
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