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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > anthocyanidin glycoside > anthocyanidin 3-o-beta-d-sambubioside > pelargonidin 3-o-beta-d-sambubioside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthocyanidin cation > anthocyanidin glycoside > anthocyanidin 3-o-beta-d-sambubioside > pelargonidin 3-o-beta-d-sambubioside
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanidin cation > anthocyanidin glycoside > anthocyanidin 3-o-beta-d-sambubioside > pelargonidin 3-o-beta-d-sambubioside
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > anthocyanidin 3-o-beta-d-sambubioside > pelargonidin 3-o-beta-d-sambubioside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > anthocyanidin 3-o-beta-d-sambubioside > pelargonidin 3-o-beta-d-sambubioside

Preferred term

pelargonidin 3-o-beta-d-sambubioside  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • +1

formula

  • C26H29O14

has_functional_parent

has_role

inchi

  • InChI=1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1

inchikey

  • NKUOSFBSKVBOJC-AOBOYTTNSA-O

mass

  • 565.50010

monoisotopicmass

  • 565.15518

smiles

  • OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside

synonym RELATED

  • Pelargonidin 3-sambubioside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:74809

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