input word = C00015501

Metabolite InformationStructural formula
Name CRM 646B
Formula C37H52O13
Mw 704.34079175
CAS RN 265987-81-3
C_ID C00015501 ,
InChIKey STVGNKQOIYIMAK-LTXFUXFENA-N
InChICode InChI=1S/C37H52O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-25(49-37-32(42)30(40)31(41)33(50-37)36(46)47-3)21-27(39)29(23)35(45)48-24-18-22(2)28(34(43)44)26(38)20-24/h18-21,30-33,37-42H,4-17H2,1-3H3,(H,43,44)/t30-,31-,32+,33+,37+/m0/s1
SMILES O(c1cc(c(c(c1)O)C(=O)Oc1cc(c(c(c1)C)C(=O)O)O)CCCCCCCCCCCCCCC)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium sp. MT70646 Ref.
zoom in