{"id":33504,"npaid":"NPA033504","original_name":"21R-citrinadin A","mol_formula":"C35H52N4O6","mol_weight":"624.8230","exact_mass":"624.3887","inchikey":"BERMVHWKOOMCMF-AVGRWZFCSA-N","smiles":"CN[C@]12CN3[C@H](C[C@H](OC(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C)C[C@]1(O)C(C)(C)[C@]1(C2)C(=O)NC2=C(C(=O)[C@H]3OC3(C)C)C=CC=C21","cluster_id":1057,"node_id":910,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C35H52N4O6/c1-19(2)26(38(9)10)29(41)44-22-14-20(3)39-18-33(36-8)17-34(32(6,7)35(33,43)16-21(39)15-22)24-13-11-12-23(25(24)37-30(34)42)27(40)28-31(4,5)45-28/h11-13,19-22,26,28,36,43H,14-18H2,1-10H3,(H,37,42)/t20-,21+,22+,26-,28+,33+,34-,35-/m0/s1","m_plus_h":"625.3960","m_plus_na":"647.3779","origin_reference":{"doi":"10.1038/s41467-021-24421-0","pmid":34230497,"authors":"Liu, Zhiwen; Zhao, Fanglong; Zhao, Boyang; Yang, Jie; Ferrara, Joseph; Sankaran, Banumathi; Venkataram Prasad; Kundu, Biki Bapi; Phillips, George N.; Gao, Yang; Hu, Liya; Zhu, Tong; Gao, Xue","title":"Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins","journal":"Nature Communications","year":2021,"volume":"12","issue":"1","pages":"4158"},"origin_organism":{"id":10824,"type":"Fungus","genus":"Penicillium","species":"citrinum ATCC 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