input word = C00028009

Metabolite InformationStructural formula
Name Caribaeolin
Formula C30H40N2O7
Mw 540.28355165
CAS RN 259728-87-5
C_ID C00028009 ,
InChIKey WIUSFZNUZWLLDZ-ZQRGOCLVNA-N
InChICode InChI=1S/C30H40N2O7/c1-19(2)23-10-11-28(4,35)25-15-26(38-27(34)9-8-22-16-32(6)18-31-22)29(5)12-13-30(36-7,39-29)21(14-24(23)25)17-37-20(3)33/h8-14,16,18-19,23-26,35H,15,17H2,1-7H3/b9-8+,21-14-/t23-,24-,25+,26+,28-,29-,30+/m1/s1
SMILES [C@H]1(OC(=O)/C=C/c2ncn(c2)C)C[C@H]2[C@@H]([C@H](C=C[C@@]2(C)O)C(C)C)/C=C(\[C@@]2(C=C[C@]1(O2)C)OC)/COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Erythropodium caribaeorum Ref.
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