input word = C00016123

Metabolite InformationStructural formula
Name Apicularen B
Apicularene B
Formula C33H44N2O11
Mw 644.29451026
CAS RN 220757-06-2
C_ID C00016123 ,
InChIKey JVMDGHNCVYGPGG-SZIKKRIWNA-N
InChICode InChI=1S/C33H44N2O11/c1-3-4-5-6-12-27(39)34-13-8-10-21-15-23-17-24(45-33-29(35-19(2)37)31(41)30(40)26(18-36)46-33)16-22(43-23)14-20-9-7-11-25(38)28(20)32(42)44-21/h4-9,11-13,21-24,26,29-31,33,36,38,40-41H,3,10,14-18H2,1-2H3,(H,34,39)(H,35,37)/b5-4-,12-6-,13-8+/t21-,22-,23-,24+,26+,29-,30+,31+,33+/m0/s1
SMILES c12c(cccc1O)C[C@H]1C[C@H](C[C@H](C[C@@H](OC2=O)C/C=C/NC(=O)/C=C\C=C/CC)O1)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaPolyangiaceaeChondromyces sp. Ref.
--Chomdsomyces robustus Ref.
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