PCIDB

KNApSAcK Metabolite C00035351

Metabolite

KNApSAcK Entry

id C00035351
Name Nobotanin L
CAS RN 238750-61-3
Standard InChI InChI=1S/C109H76O70/c110-17-53-91(174-102(157)27-9-43(120)69(133)79(143)58(27)56-25(100(155)169-53)7-41(118)67(131)77(56)141)89(49(126)19-164-96(151)22-1-35(112)64(128)36(113)2-22)172-107(162)33-13-47(124)73(137)85(149)87(33)167-51-15-31-62(83(147)75(51)139)60-29(11-45(122)71(135)81(60)145)104(159)176-93-55(21-166-99(31)154)171-109(179-98(153)24-5-39(116)66(130)40(117)6-24)95-94(93)177-105(160)30-12-46(123)72(136)82(146)61(30)63-32(106(161)178-95)16-52(76(140)84(63)148)168-88-34(14-48(125)74(138)86(88)150)108(163)173-90(50(127)20-165-97(152)23-3-37(114)65(129)38(115)4-23)92-54(18-111)170-101(156)26-8-42(119)68(132)78(142)57(26)59-28(103(158)175-92)10-44(121)70(134)80(59)144/h1-18,49-50,53-55,89-95,109,112-150H,19-21H2
Standard InChI (Main Layer) InChI=1S/C109H76O70/c110-17-53-91(174-102(157)27-9-43(120)69(133)79(143)58(27)56-25(100(155)169-53)7-41(118)67(131)77(56)141)89(49(126)19-164-96(151)22-1-35(112)64(128)36(113)2-22)172-107(162)33-13-47(124)73(137)85(149)87(33)167-51-15-31-62(83(147)75(51)139)60-29(11-45(122)71(135)81(60)145)104(159)176-93-55(21-166-99(31)154)171-109(179-98(153)24-5-39(116)66(130)40(117)6-24)95-94(93)177-105(160)30-12-46(123)72(136)82(146)61(30)63-32(106(161)178-95)16-52(76(140)84(63)148)168-88-34(14-48(125)74(138)86(88)150)108(163)173-90(50(127)20-165-97(152)23-3-37(114)65(129)38(115)4-23)92-54(18-111)170-101(156)26-8-42(119)68(132)78(142)57(26)59-28(103(158)175-92)10-44(121)70(134)80(59)144/h1-18,49-50,53-55,89-95,109,112-150H,19-21H2

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
Melastomataceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Tibouchina semidecandra 596822 Melastomataceae rosids Viridiplantae