input word = C00015500

Metabolite InformationStructural formula
Name CRM 646A
Formula C36H50O13
Mw 690.32514168
CAS RN 265987-80-2
C_ID C00015500 ,
InChIKey PNRVAHOSWLWYPO-CSYKQTPCNA-N
InChICode InChI=1S/C36H50O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-24(48-36-31(41)29(39)30(40)32(49-36)34(44)45)20-26(38)28(22)35(46)47-23-17-21(2)27(33(42)43)25(37)19-23/h17-20,29-32,36-41H,3-16H2,1-2H3,(H,42,43)(H,44,45)/t29-,30-,31+,32-,36+/m0/s1
SMILES O(c1cc(c(c(c1)CCCCCCCCCCCCCCC)C(=O)Oc1cc(c(c(c1)C)C(=O)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium sp. MT70646 Ref.
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