PCIDB

KNApSAcK Metabolite C00034282

Metabolite

KNApSAcK Entry

id C00034282
Name Squarrosanin C
CAS RN 1110784-05-8
Standard InChI InChI=1S/C82H54O51/c83-18-1-12(2-19(84)46(18)92)73(114)127-28-10-125-79(120)41-35(32-16(7-24(89)51(97)55(32)101)76(117)129-68(28)67(113)65(111)61(107)44-43-39-34-27(126-80(43)121)9-26(91)48(94)45(34)82(123)131-70(39)66(112)62(44)108)57(103)63(109)59(105)37(41)40-38-42-36(58(104)64(110)60(38)106)33-17(8-25(90)52(98)56(33)102)78(119)133-72(71(40)132-81(42)122)69-29(128-74(115)13-3-20(85)47(93)21(86)4-13)11-124-75(116)14-5-22(87)49(95)53(99)30(14)31-15(77(118)130-69)6-23(88)50(96)54(31)100/h1-9,28-29,40,61,65,67-69,71-72,83-113H,10-11H2
Standard InChI (Main Layer) InChI=1S/C82H54O51/c83-18-1-12(2-19(84)46(18)92)73(114)127-28-10-125-79(120)41-35(32-16(7-24(89)51(97)55(32)101)76(117)129-68(28)67(113)65(111)61(107)44-43-39-34-27(126-80(43)121)9-26(91)48(94)45(34)82(123)131-70(39)66(112)62(44)108)57(103)63(109)59(105)37(41)40-38-42-36(58(104)64(110)60(38)106)33-17(8-25(90)52(98)56(33)102)78(119)133-72(71(40)132-81(42)122)69-29(128-74(115)13-3-20(85)47(93)21(86)4-13)11-124-75(116)14-5-22(87)49(95)53(99)30(14)31-15(77(118)130-69)6-23(88)50(96)54(31)100/h1-9,28-29,40,61,65,67-69,71-72,83-113H,10-11H2

Cluster

Phytochemical cluster
KCF-S cluster No. 457

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Myrtaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Melaleuca squarrosa 164925 Myrtaceae rosids Viridiplantae