input word = C00045313

Metabolite InformationStructural formula
Name Erythrolide O
(+)-Erythrolide O
Formula C29H40O13
Mw 596.24689137
CAS RN 410096-45-6
C_ID C00045313 ,
InChIKey VXLRUARRHGRFLY-VOCHGOJENA-N
InChICode InChI=1S/C29H40O13/c1-13-20(38-15(3)30)12-22(40-17(5)32)28(7)21(39-16(4)31)10-9-19(27(35)37-8)11-23-29(36,14(2)26(34)42-23)25(24(13)28)41-18(6)33/h11,13-14,20-25,36H,9-10,12H2,1-8H3/b19-11+/t13-,14-,20+,21+,22-,23-,24+,25+,28-,29-/m0/s1
SMILES C\1=C(\CC[C@H]([C@@]2([C@@H]([C@H]([C@]3([C@H]1OC(=O)[C@@H]3C)O)OC(=O)C)[C@H]([C@@H](C[C@@H]2OC(=O)C)OC(=O)C)C)C)OC(=O)C)/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Erythropodium caribaeorum Ref.
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OrganismErythropodium caribaeorum
ReferenceBanjoo,J.Nat.Prod.,65,(2002),314