input word = C00042904

Metabolite InformationStructural formula
Name Renillin B
(-)-Renillin B
Formula C29H43ClO10
Mw 586.2544753
CAS RN 851319-99-8
C_ID C00042904 ,
InChIKey RKVCAWZEEMZYIQ-AXIOLNNDNA-N
InChICode InChI=1S/C29H43ClO10/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/h16,18-19,22-25,35-36H,3,8-14H2,1-2,4-7H3/t16-,18-,19-,22?,23+,24-,25+,27+,28+,29-/m0/s1
SMILES [C@@H]1(C(=C)CC[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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