input word = C00043731

Metabolite InformationStructural formula
Name Minabein 1
Formula C24H29ClO9
Mw 496.15001024
CAS RN 104993-07-9
C_ID C00043731 ,
InChIKey STNIKXNUVOXCEH-BQYQJAHWNA-N
InChICode InChI=1S/C24H29ClO9/c1-11-7-8-16(32-13(3)26)22(5)10-9-15(28)23(6,30)18(22)20(33-14(4)27)24(31)12(2)21(29)34-19(24)17(11)25/h7-10,12,16-20,30-31H,1H2,2-6H3/b8-7+/t12-,16-,17-,18+,19+,20+,22+,23+,24+/m0/s1
SMILES [C@@H]1(C(=C)/C=C/[C@@H]([C@@]2([C@@H]([C@H]([C@@]3([C@@H]1OC(=O)[C@@H]3C)O)OC(=O)C)[C@@](C(=O)C=C2)(O)C)C)OC(=O)C)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Eleutherobia sp. Ref.
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