id | C00012138 |
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Name | Rotundin |
CAS RN | 82451-45-4 |
Standard InChI | InChI=1S/C22H28O8/c1-6-11(2)20(25)29-17-9-22(10-27-14(5)23)18(30-22)8-15(24)12(3)7-16-19(17)13(4)21(26)28-16/h6-7,15-19,24H,4,8-10H2,1-3,5H3/b11-6-,12-7-/t15-,16+,17+,18+,19-,22-/m0/s1 |
Standard InChI (Main Layer) | InChI=1S/C22H28O8/c1-6-11(2)20(25)29-17-9-22(10-27-14(5)23)18(30-22)8-15(24)12(3)7-16-19(17)13(4)21(26)28-16/h6-7,15-19,24H,4,8-10H2,1-3,5H3 |
Phytochemical cluster | No. 38 |
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KCF-S cluster | No. 94 |
By standard InChI | |
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By standard InChI Main Layer |
By LinkDB |
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By CAS RN |
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class name | count |
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asterids | 1 |
family name | count |
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Asteraceae | 1 |
KNApSAcK organism | *ID | *family | *plant class | *kingdom |
---|---|---|---|---|
Tithonia rotundifolia | 105388 | Asteraceae | asterids | Viridiplantae |
Trithonia rotundifolia |