input word = C00049837

Metabolite InformationStructural formula
Name Stecholide I
Formula C30H40O12
Mw 592.25197674
CAS RN 152339-96-3
C_ID C00049837 ,
InChIKey IXVXRVVHUNJDBC-KAMYIIQDNA-N
InChICode InChI=1S/C30H40O12/c1-9-10-21(35)41-23-14(2)11-12-20-30(29(8,42-30)27(36)40-20)25(38-17(5)32)22-15(3)13-19(34)24(37-16(4)31)28(22,7)26(23)39-18(6)33/h11,13,19-20,22-26,34H,9-10,12H2,1-8H3/b14-11-/t19-,20+,22-,23-,24-,25+,26-,28-,29-,30-/m1/s1
SMILES CCCC(=O)OC1/C(C)=CCC2OC(=O)C3(C)OC23C(OC(C)=O)C2C(C)=CC(O)C(OC(C)=O)C2(C)C1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
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