input word = C00042903

Metabolite InformationStructural formula
Name Renillin A
(-)-Renillin A
Formula C29H41ClO10
Mw 584.23882524
CAS RN 851319-98-7
C_ID C00042903 ,
InChIKey FSOSFMPSMUWBAF-VDMSBNLUNA-N
InChICode InChI=1S/C29H41ClO10/c1-8-10-21(33)39-19-13-14-27(6)18(38-20(32)9-2)12-11-15(3)22(30)24-29(36,16(4)26(34)40-24)25(37-17(5)31)23(27)28(19,7)35/h11-12,16,18-19,22-25,35-36H,3,8-10,13-14H2,1-2,4-7H3/b12-11+/t16-,18-,19-,22-,23+,24-,25+,27+,28+,29-/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@H](CC2)OC(=O)CCC)(C)O)C)OC(=O)CC)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaRenillidaeRenilla reniformis Ref.
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OrganismRenilla reniformis
ReferenceBarsby,J.Nat.Prod.,68,(2005),511