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 C1=C([C@H]2[C@]([C@@H]([C@@H]1O)OC(=O)C)([C@@H]([C@@H](/C(=C\C[C@H]1[C@@]3([C@H]2OC(=O)C)[C@](C(=O)O1)(C)O3)/C)OC(=O)CCC)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
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OrganismBriareum sp.
ReferenceRodriguez,J.Nat.Prod.,61,(1998),314