Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Hypericum / Hypericin 548-04-9 5281051
Structure Other Information
Canonical SMILES CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O
Iso SMILES CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O
InChI InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
InChI Key BTXNYTINYBABQR-UHFFFAOYSA-N
Formula C30H16O8
Mol Weight 504.443
XlogP3 6.9
Charge 0

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