Metabolite

KNApSAcK Entry

id C00035346
Name Nobotanin C
CAS RN 111692-75-2
Standard InChI InChI=1S/C116H80O74/c117-19-56-94(93(181-103(161)25-5-41(122)69(137)42(123)6-25)53(134)20-173-101(159)23-1-37(118)67(135)38(119)2-23)183-111(169)33-17-54(79(147)87(155)65(33)60-28(106(164)178-56)10-46(127)72(140)82(60)150)176-91-35(15-51(132)77(145)89(91)157)113(171)189-115-99-97(95(182-104(162)26-7-43(124)70(138)44(125)8-26)57(179-115)21-174-102(160)24-3-39(120)68(136)40(121)4-24)186-112(170)34-18-55(80(148)88(156)66(34)64-32(110(168)187-99)14-50(131)76(144)86(64)154)177-92-36(16-52(133)78(146)90(92)158)114(172)190-116-100-98(185-108(166)30-12-48(129)74(142)84(152)62(30)63-31(109(167)188-100)13-49(130)75(143)85(63)153)96-58(180-116)22-175-105(163)27-9-45(126)71(139)81(149)59(27)61-29(107(165)184-96)11-47(128)73(141)83(61)151/h1-19,53,56-58,93-100,115-116,118-158H,20-22H2
Standard InChI (Main Layer) InChI=1S/C116H80O74/c117-19-56-94(93(181-103(161)25-5-41(122)69(137)42(123)6-25)53(134)20-173-101(159)23-1-37(118)67(135)38(119)2-23)183-111(169)33-17-54(79(147)87(155)65(33)60-28(106(164)178-56)10-46(127)72(140)82(60)150)176-91-35(15-51(132)77(145)89(91)157)113(171)189-115-99-97(95(182-104(162)26-7-43(124)70(138)44(125)8-26)57(179-115)21-174-102(160)24-3-39(120)68(136)40(121)4-24)186-112(170)34-18-55(80(148)88(156)66(34)64-32(110(168)187-99)14-50(131)76(144)86(64)154)177-92-36(16-52(133)78(146)90(92)158)114(172)190-116-100-98(185-108(166)30-12-48(129)74(142)84(152)62(30)63-31(109(167)188-100)13-49(130)75(143)85(63)153)96-58(180-116)22-175-105(163)27-9-45(126)71(139)81(149)59(27)61-29(107(165)184-96)11-47(128)73(141)83(61)151/h1-19,53,56-58,93-100,115-116,118-158H,20-22H2

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 2

Family

family name count
Melastomataceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Tibouchina multiflora 1421375 Melastomataceae rosids Viridiplantae
Tibouchina semidecandra 596822 Melastomataceae rosids Viridiplantae