PCIDB

KNApSAcK Metabolite C00042746

Metabolite

KNApSAcK Entry

id C00042746
Name Mollisoside B2
CAS RN 857288-92-7
Standard InChI InChI=1S/C53H82O25S/c1-23(2)10-9-15-52(7)43-26(56)18-51(6)25-11-12-31-49(3,4)32(14-16-50(31,5)24(25)13-17-53(43,51)48(64)77-52)73-47-42(34(59)30(22-70-47)78-79(65,66)67)76-45-36(61)35(60)40(29(20-55)72-45)75-44-37(62)39(27(57)21-69-44)74-46-38(63)41(68-8)33(58)28(19-54)71-46/h11,24,27-47,54-55,57-63H,1,9-10,12-22H2,2-8H3,(H,65,66,67)/t24-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36+,37+,38+,39-,40+,41-,42+,43+,44-,45-,46-,47-,50+,51-,52-,53+/m0/s1
Standard InChI (Main Layer) InChI=1S/C53H82O25S/c1-23(2)10-9-15-52(7)43-26(56)18-51(6)25-11-12-31-49(3,4)32(14-16-50(31,5)24(25)13-17-53(43,51)48(64)77-52)73-47-42(34(59)30(22-70-47)78-79(65,66)67)76-45-36(61)35(60)40(29(20-55)72-45)75-44-37(62)39(27(57)21-69-44)74-46-38(63)41(68-8)33(58)28(19-54)71-46/h11,24,27-47,54-55,57-63H,1,9-10,12-22H2,2-8H3,(H,65,66,67)

Cluster

Phytochemical cluster
KCF-S cluster No. 72

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
Stichopodidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Australostichopus mollis 576896 Stichopodidae Metazoa