PCIDB

KNApSAcK Metabolite C00034628

Metabolite

KNApSAcK Entry

id C00034628
Name Phyllocactin
CAS RN 15167-85-8
Standard InChI InChI=1S/C27H28N2O16/c30-16-7-14-11(5-15(26(41)42)29(14)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40)6-17(16)44-27-23(36)22(35)21(34)18(45-27)9-43-20(33)8-19(31)32/h1-3,6-7,13,15,18,21-23,27,30,34-36H,4-5,8-9H2,(H,31,32)(H,37,38)(H,39,40)(H,41,42)/b2-1+/t13-,15-,18+,21+,22-,23+,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H28N2O16/c30-16-7-14-11(5-15(26(41)42)29(14)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40)6-17(16)44-27-23(36)22(35)21(34)18(45-27)9-43-20(33)8-19(31)32/h1-3,6-7,13,15,18,21-23,27,30,34-36H,4-5,8-9H2,(H,31,32)(H,37,38)(H,39,40)(H,41,42)

Cluster

Phytochemical cluster No. 71
KCF-S cluster No. 763

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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