PCIDB

KNApSAcK Metabolite C00044948

Metabolite

KNApSAcK Entry

id C00044948
Name Mycaloside I / (-)-Mycaloside I
CAS RN 593280-58-1
Standard InChI InChI=1S/C52H86O22/c1-22(2)24(12-15-53)7-6-23(3)29-17-30(57)35-27-9-8-25-16-26(10-13-51(25,4)28(27)11-14-52(29,35)5)68-50-43(66)46(45(34(20-56)71-50)73-49-41(64)39(62)37(60)33(19-55)70-49)74-47-42(65)44(31(58)21-67-47)72-48-40(63)38(61)36(59)32(18-54)69-48/h9,12,22-23,25-26,28-50,53-66H,6-8,10-11,13-21H2,1-5H3/b24-12+/t23-,25+,26+,28+,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47+,48+,49+,50-,51+,52-/m1/s1
Standard InChI (Main Layer) InChI=1S/C52H86O22/c1-22(2)24(12-15-53)7-6-23(3)29-17-30(57)35-27-9-8-25-16-26(10-13-51(25,4)28(27)11-14-52(29,35)5)68-50-43(66)46(45(34(20-56)71-50)73-49-41(64)39(62)37(60)33(19-55)70-49)74-47-42(65)44(31(58)21-67-47)72-48-40(63)38(61)36(59)32(18-54)69-48/h9,12,22-23,25-26,28-50,53-66H,6-8,10-11,13-21H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Mycalidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Mycale laxissima 458504 Mycalidae Metazoa