input word = C00050383

Metabolite InformationStructural formula
Name Manauealide A
Formula C32H47ClO10
Mw 626.28577543
CAS RN 195734-59-9
C_ID C00050383 ,
InChIKey IQIMZKXKJXCPHT-UHFFFAOYNA-N
InChICode InChI=1S/C32H47ClO10/c1-17(8-11-24(39-7)21-9-10-22(33)23(35)12-21)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26+,29-,31-,32+/m1/s1
SMILES O1[C@]23C[C@@H]([C@H]([C@H]1[C@@H](CC[C@@H](OC)c1cc(c(cc1)Cl)O)C)C)OC(=O)C[C@H](OC(=O)C[C@]([C@H](CC2(C)C)C)(O3)O)[C@@H](O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--GracilariaceaeGracilaria coronopifolia Ref.
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OrganismGracilaria coronopifolia
ReferenceNagai,J.Nat.Prod.,60,(1997),925